4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid

C14H12FNO3 — CID 107796660

IUPAC4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H12FNO3/c1-8-5-11(17)6-9(2)16(8)10-3-4-12(14(18)19)13(15)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJUQBIFGKMHMVIV-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.29
Rot. Bonds2

About 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid

4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid (PubChem CID 107796660) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid
PubChem CID107796660
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H12FNO3/c1-8-5-11(17)6-9(2)16(8)10-3-4-12(14(18)19)13(15)7-10/h3-7H,1-2H3,(H,18,19)
InChIKeyJUQBIFGKMHMVIV-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

2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
CID 79023796
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
CID 79884479
1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
CID 737573
4-[4-[(2,3-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-2-methylbenzoic acid
CID 69026152
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884679
5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
CID 79885475
2-fluoro-4-[3-(4-isocyano-3-methylphenyl)-2-sulfanylideneimidazo[4,5-b]pyridin-1-yl]benzoic acid
CID 162117308
1-[3-(hydroxymethyl)phenyl]-2,6-dimethylpyridin-4-one
CID 79884501
4-(2,3-dimethylpiperidin-1-yl)-2-fluorobenzoic acid
CID 115485324
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
2,5-dimethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrrole-3-carboxylic acid
CID 115564074

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid (CID 107796660) is 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid is Cc1cc(=O)cc(C)n1-c1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid?
The InChIKey is JUQBIFGKMHMVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-5-11(17)6-9(2)16(8)10-3-4-12(14(18)19)13(15)7-10/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid?
4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic 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 4-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-fluorobenzoic acid is sourced from PubChem (CID 107796660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).