1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid

C8H7F2NO3 — CID 63937616

IUPAC1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(F)F)c1=O
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-11-3-1-2-5(7(11)12)8(13)14/h1-3,6H,4H2,(H,13,14)
InChIKeyINXWMKCYQWBSFP-UHFFFAOYSA-N
MW203.14 g/mol
LogP0.81
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid

1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 63937616) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID63937616
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(CC(F)F)c1=O
InChIInChI=1S/C8H7F2NO3/c9-6(10)4-11-3-1-2-5(7(11)12)8(13)14/h1-3,6H,4H2,(H,13,14)
InChIKeyINXWMKCYQWBSFP-UHFFFAOYSA-N
XLogP0.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid (CID 63937616) is 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(CC(F)F)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is INXWMKCYQWBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c9-6(10)4-11-3-1-2-5(7(11)12)8(13)14/h1-3,6H,4H2,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid?
1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63937616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).