279637 <common-name>6-bromo-4-oxochromene-2-carbonitrile</common-name> <description>6-bromo-4-oxochromene-2-carbonitrile belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This organoheterocyclic compound has the chemical formula C10H4BrNO2 and an average molecular weight of 250.05 g/mol.</description> <cas>33544-20-6</cas> <pubchem-id>214644</pubchem-id> <chemical-formula>C10H4BrNO2</chemical-formula> <weight>250.05</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-26T19:34:04Z</created-at> <updated-at type="dateTime">2026-08-26T19:34:04Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1=CC2=C(C=C1Br)C(=O)C=C(O2)C#N</moldb-smiles> <moldb-formula>C10H4BrNO2</moldb-formula> <moldb-inchi>InChI=1S/C10H4BrNO2/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4H</moldb-inchi> <moldb-inchikey>LSUDRONULLAHLF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">248.94254</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM275530</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>6-bromo-4-oxochromene-2-carbonitrile</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231689</sync-id> <structure-inchikey>LSUDRONULLAHLF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000004800000000000000000000000800000000200000000000001000000000000000000000020800020000000000000800000000200000200000000000000000000100000000400000000000000000000000000000000000000000000000000000000800004000000000000000000000000000000000000000000000000040000088000000000050000000000000000000000000000000000000000000800000100000000000000000000000020000200000000000000a00000000000000040000000000000000080000400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>401000000112044080000800010820000000040012052000002520c00280020c4002001002800000000001080080000004200020408c30010922443004a0400084110c0002000c091090100001620100000001805000203640000422002048000c280406004002000000040144100000200680108401c004110c200002510012004008084c4000080800020008080018310c8212c410140a00200800200000a100c721008000420002000940013c211002c00010894188481280420008c8021000000004840100130180000004010ac0050000002200500005000200080001002034001600010000004000016100208800100010004000020000080050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEIwAgAAAAAQZA KAAAAAMECAAoAAAAAwIGQGgAAAADAwEGQCgAAAADBAhAKAAAAAMCBgAoAAAA AgQHACgAAAACAwsAAWgMAQJoDAIDaAwDBGgMBAVoDAUGAAMHaAwHCCgCBwlo DAkKaAwKC2gMCgwgDA0oAwUAaAwLAmgMQgIAAAAGAAUEAwIBBgcJCgsCAxcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:54:54Z</structure-indexed-at> </compound>