Basic information
- CAS
864082-26-8- Standard SMILES
CC1=C(C(=O)O)C(c2ccc(F)cc2)CC(=O)N1- InChIKey
HOYFTYXENLJYGH-UHFFFAOYSA-N- Molecular formula
- C13H12FNO3
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.08012141
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid
- IUPAC
- 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
- English name
- 1,4,5,6-Tetrahydro-2-methyl-6-oxo-4-[4-(fluoro)phenyl]-3-pyridinecarboxylic acid
- Molecular formula
- C13H12FNO3
- Molecular weight
- 249.24
Names & synonyms
864082-26-81,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(FLUORO)PHENYL]-3-PYRIDINECARBOXYLIC ACID4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acidSCHEMBL3342133DTXSID60582731HOYFTYXENLJYGH-UHFFFAOYSA-NDB-0766214-(4-Fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-
Database identifiers
- CAS
864082-26-8- PubChem CID
- 16099862
- DTXSID
DTXSID60582731
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 475.7 · 475.7±45.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 6.55 · 6.55±0.40(Predicted)
Chemistry & industry
Suppliers2 total
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
6 records
Compound notes
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