5-(3,5-Difluorophenyl)-2-hydroxyisonicotinic acid
Basic information
- CAS
1261968-45-9- Standard SMILES
O=C(O)c1cc(=O)[nH]cc1-c1cc(F)cc(F)c1- InChIKey
GHWFHXVEWFGNPG-UHFFFAOYSA-N- Molecular formula
- C12H7F2NO3
- Average molar mass
- 251.18 g/mol
- Monoisotopic mass
- 251.03939941
Names & identifiers
- Preferred name
- 5-(3,5-Difluorophenyl)-2-hydroxyisonicotinic acid
- IUPAC
- 5-(3,5-difluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid
Names & synonyms
1261968-45-95-(3,5-difluorophenyl)-2-oxo-1H-pyridine-4-carboxylic acid5-(3,5-DIFLUOROPHENYL)-2-HYDROXYISONICOTINIC ACIDDTXSID20687337MFCD183172045-(3,5-Difluorophenyl)-2-hydroxyisonicotinic acid, 95%5-(3,5-Difluorophenyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid
Database identifiers
- CAS
1261968-45-9- PubChem CID
- 53223045
- DTXSID
DTXSID20687337
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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