1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid

C7H5F2NO3 — CID 67220851

IUPAC1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C(F)F)c1=O
InChIInChI=1S/C7H5F2NO3/c8-7(9)10-3-1-2-4(5(10)11)6(12)13/h1-3,7H,(H,12,13)
InChIKeyQQASNCBWNOWEGS-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.94
Rot. Bonds2

About 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid

1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 67220851) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID67220851
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C(F)F)c1=O
InChIInChI=1S/C7H5F2NO3/c8-7(9)10-3-1-2-4(5(10)11)6(12)13/h1-3,7H,(H,12,13)
InChIKeyQQASNCBWNOWEGS-UHFFFAOYSA-N
XLogP0.94
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-2-oxopyridine-3-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 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid (CID 67220851) is 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is QQASNCBWNOWEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)10-3-1-2-4(5(10)11)6(12)13/h1-3,7H,(H,12,13).
What are the key properties of 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid?
1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 189.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 67220851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).