4-[2-Methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
Basic information
- CAS
1261951-22-7- Standard SMILES
COc1ccc(C(F)(F)F)cc1-c1ccncc1C(=O)O- InChIKey
BSLPOZKAJBDNNN-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO3
- Average molar mass
- 297.23 g/mol
- Monoisotopic mass
- 297.06127767
Names & identifiers
- Preferred name
- 4-[2-Methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
- IUPAC
- 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
Names & synonyms
1261951-22-74-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acidMFCD183238004-(2-METHOXY-5-TRIFLUOROMETHYLPHENYL)NICOTINIC ACID4-(2-Methoxy-5-trifluoromethylphenyl)nicotinic acid, 95%DTXSID50692777
Database identifiers
- CAS
1261951-22-7- PubChem CID
- 53229653
- DTXSID
DTXSID50692777
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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