6-(2-Fluoro-3-methoxyphenyl)nicotinic acid
Basic information
- CAS
1261982-33-5- Standard SMILES
COc1cccc(-c2ccc(C(=O)O)cn2)c1F- InChIKey
YCQJUJHIRKJOQN-UHFFFAOYSA-N- Molecular formula
- C13H10FNO3
- Average molar mass
- 247.22 g/mol
- Monoisotopic mass
- 247.06447134
Names & identifiers
- Preferred name
- 6-(2-Fluoro-3-methoxyphenyl)nicotinic acid
- IUPAC
- 6-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid
Names & synonyms
1261982-33-56-(2-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid6-(2-FLUORO-3-METHOXYPHENYL)NICOTINIC ACIDDTXSID20687519MFCD183174756-(2-Fluoro-3-methoxyphenyl)nicotinic acid, 95%6-(2-fluoro-3-methoxy-phenyl)pyridine-3-carboxylic acid
Database identifiers
- CAS
1261982-33-5- PubChem CID
- 53223333
- DTXSID
DTXSID20687519
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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