5-(2-Fluoro-4-methylphenyl)-2-methoxynicotinic acid
Basic information
- CAS
1261911-49-2- Standard SMILES
COc1ncc(-c2ccc(C)cc2F)cc1C(=O)O- InChIKey
PEZGLPNVHCHZTF-UHFFFAOYSA-N- Molecular formula
- C14H12FNO3
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.08012141
Names & identifiers
- Preferred name
- 5-(2-Fluoro-4-methylphenyl)-2-methoxynicotinic acid
- IUPAC
- 5-(2-fluoro-4-methylphenyl)-2-methoxypyridine-3-carboxylic acid
Names & synonyms
1261911-49-25-(2-FLUORO-4-METHYLPHENYL)-2-METHOXYNICOTINIC ACID5-(2-fluoro-4-methylphenyl)-2-methoxypyridine-3-carboxylic acidMFCD18316985DTXSID40687157I783275-(2-Fluoro-4-methylphenyl)-2-methoxynicotinic acid, 95%5-(2-fluoro-4-methyl-phenyl)-2-methoxy-pyridine-3-carboxylic acid
Database identifiers
- CAS
1261911-49-2- PubChem CID
- 53222811
- DTXSID
DTXSID40687157
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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