1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

C14H12FNO3 — CID 612407

IUPAC1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-8-7-9(2)16(13(17)12(8)14(18)19)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19)
InChIKeyKZSMSENQGGQIQF-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 612407) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID612407
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H12FNO3/c1-8-7-9(2)16(13(17)12(8)14(18)19)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19)
InChIKeyKZSMSENQGGQIQF-UHFFFAOYSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Antipyric acid
CID 246564
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54693422
Cambridge id 6972374
CID 766763
2,6-Dimethyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 227374
2,5-Dioxo-1-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CID 2053933
2-Hydroxy-4-methylquinoline-3-carboxylic acid
CID 11850972
6-Fluoro-2-hydroxyquinoline-3-carboxylic acid
CID 22690285
Methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxylate
CID 54686065
Methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CID 54708955
1-(2-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 618374
4-hydroxy-6-methyl-2-oxo-N-phenylpyran-3-carboxamide
CID 54709973
1-(4-Chlorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 168180

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 612407) is 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is KZSMSENQGGQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-7-9(2)16(13(17)12(8)14(18)19)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 612407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).