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

C7H6FNO3 — CID 175563797

IUPAC5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(F)cc1C(=O)O
InChIInChI=1S/C7H6FNO3/c1-3-4(7(11)12)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyQNPKUFBZMXLUMY-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.52
Rot. Bonds1

About 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid

5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 175563797) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID175563797
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1[nH]c(=O)c(F)cc1C(=O)O
InChIInChI=1S/C7H6FNO3/c1-3-4(7(11)12)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12)
InChIKeyQNPKUFBZMXLUMY-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 175563797) is 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid is Cc1[nH]c(=O)c(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is QNPKUFBZMXLUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-3-4(7(11)12)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)(H,11,12).
What are the key properties of 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
5-fluoro-2-methyl-6-oxo-1H-pyridine-3-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 5-fluoro-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 175563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).