Basic information
- Standard SMILES
Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)O- InChIKey
XVMLMMLWOPUHRS-UHFFFAOYSA-N- Molecular formula
- C13H9F2NO2
- Average molar mass
- 249.21 g/mol
- Monoisotopic mass
- 249.06013485
Names & identifiers
- Preferred name
- 2-Methyl-6-(3,4-difluorophenyl)nicotinic acid
- IUPAC
- 6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
Names & synonyms
2-methyl-6-(3,4-difluorophenyl)nicotinic acidSCHEMBL4423346XVMLMMLWOPUHRS-UHFFFAOYSA-NAKOS0385593716-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 69038091
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
1 records
Compound notes
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