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

C14H12FNO3 — CID 14075298

IUPAC2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C14H12FNO3/c1-8-7-11(17)12(14(18)19)13(16(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,18,19)
InChIKeyKCUUMBGPFUPFKE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.20
Rot. Bonds2

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

2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075298) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
PubChem CID14075298
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C14H12FNO3/c1-8-7-11(17)12(14(18)19)13(16(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,18,19)
InChIKeyKCUUMBGPFUPFKE-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Karetazan
CID 157722
1-[(4-Fluorophenyl)methyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 58067778
1-[1-(4-Fluorophenyl)ethyl]-5-hydroxy-4-oxo-pyridine-3-carboxylic acid
CID 127051875
1-[(4-Fluorophenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 89860357
3-Pyridinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-1-(phenylmethyl)-
CID 91699421
2-Phenyl-4-pyridone-3-carboxylic acid
CID 70434832
1-(4-Fluorobenzyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 22334956
9,10-Difluoro-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 11185401
1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075299
2-(3-Fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075308
1-Ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075309
6-(4-Fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075326

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid (CID 14075298) is 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)c(-c2ccc(F)cc2)n1C.
What is the InChIKey of 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
The InChIKey is KCUUMBGPFUPFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-7-11(17)12(14(18)19)13(16(8)2)9-3-5-10(15)6-4-9/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid?
2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).