1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

HCID 21885835
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Basic information

CAS
677762-03-7
Standard SMILES
O=C(O)c1ccc(=O)n(CC(F)F)c1
InChIKey
KNVLWWRDNBWPNE-UHFFFAOYSA-N
Molecular formula
C8H7F2NO3
Average molar mass
203.14 g/mol
Monoisotopic mass
203.03939941

Names & identifiers

Preferred name
1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
IUPAC
1-(2,2-difluoroethyl)-6-oxopyridine-3-carboxylic acid

Names & synonyms

1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid677762-03-7starbld0046117SCHEMBL3168535DTXSID501167872AKOS0132514781-(2,2-Difluoroethyl)-1,6-dihydro-6-oxo-3-pyridinecarboxylic acid

Database identifiers

CAS
677762-03-7
PubChem CID
21885835
DTXSID
DTXSID501167872

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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