5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

C8H7F2NO3 — CID 130083937

IUPAC5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)7(12)11-5(3)8(13)14/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyGCPLRRKLGHBMHZ-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.32
Rot. Bonds2

About 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid

5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130083937) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130083937
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)c(=O)[nH]c1C(=O)O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)7(12)11-5(3)8(13)14/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyGCPLRRKLGHBMHZ-UHFFFAOYSA-N
XLogP1.32
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 130083937) is 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(C(F)F)c(=O)[nH]c1C(=O)O.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is GCPLRRKLGHBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)7(12)11-5(3)8(13)14/h2,6H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130083937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).