1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid

C9H9F2NO3 — CID 91183276

IUPAC1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)ccn(C(F)F)c1=O
InChIInChI=1S/C9H9F2NO3/c1-2-5-6(8(14)15)3-4-12(7(5)13)9(10)11/h3-4,9H,2H2,1H3,(H,14,15)
InChIKeyLKUDLBFDVNTBHU-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.50
Rot. Bonds3

About 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid

1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid (PubChem CID 91183276) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid
PubChem CID91183276
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)ccn(C(F)F)c1=O
InChIInChI=1S/C9H9F2NO3/c1-2-5-6(8(14)15)3-4-12(7(5)13)9(10)11/h3-4,9H,2H2,1H3,(H,14,15)
InChIKeyLKUDLBFDVNTBHU-UHFFFAOYSA-N
XLogP1.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-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)-3-ethyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid (CID 91183276) is 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid is CCc1c(C(=O)O)ccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is LKUDLBFDVNTBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-2-5-6(8(14)15)3-4-12(7(5)13)9(10)11/h3-4,9H,2H2,1H3,(H,14,15).
What are the key properties of 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid?
1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 217.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 91183276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).