3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid

C7H6FNO3 — CID 82412213

IUPAC3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1[nH]c(=O)cc(C(=O)O)c1F
InChIInChI=1S/C7H6FNO3/c1-3-6(8)4(7(11)12)2-5(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyOERCKHRBHXGCEC-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.52
Rot. Bonds1

About 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid

3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82412213) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82412213
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1[nH]c(=O)cc(C(=O)O)c1F
InChIInChI=1S/C7H6FNO3/c1-3-6(8)4(7(11)12)2-5(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyOERCKHRBHXGCEC-UHFFFAOYSA-N
XLogP0.52
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 62038616
5-bromo-2,4-difluoro-3-methylbenzoic acid
CID 59875256
2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
benzene;2-fluoro-5-methylbenzene-1,3-dicarboxylic acid;isocyanic acid
CID 174576861
3-fluoro-2,6-dimethyl-1H-pyridin-4-one
CID 24971814
3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614
2,3-difluoro-4-hydroxy-5-methylbenzoic acid
CID 141463270
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
6-bromo-5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 82184250
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
2-oxo-5-(2,3,4,5,6-pentafluorophenyl)-1H-pyridine-4-carboxylic acid
CID 133091347

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid (CID 82412213) is 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid is Cc1[nH]c(=O)cc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is OERCKHRBHXGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-3-6(8)4(7(11)12)2-5(10)9-3/h2H,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 171.13 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82412213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).