5-(3-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Basic information
- CAS
1214330-23-0- Standard SMILES
O=C(O)c1c[nH]c(=O)c(-c2cccc(F)c2)c1- InChIKey
XPJAIXOAULQYHB-UHFFFAOYSA-N- Molecular formula
- C12H8FNO3
- Average molar mass
- 233.19 g/mol
- Monoisotopic mass
- 233.04882128
Names & identifiers
- Preferred name
- 5-(3-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 5-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
Names & synonyms
1214330-23-05-(3-FLUOROPHENYL)-6-HYDROXYNICOTINIC ACID5-(3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid5-(3-Fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acidDTXSID50673425MFCD14700921I784665-(3-Fluorophenyl)-6-hydroxynicotinic acid, 95%
Database identifiers
- CAS
1214330-23-0- PubChem CID
- 46313982
- DTXSID
DTXSID50673425
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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