3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide

C12H8F2N2O2 — CID 70686162

IUPAC3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-9-3-1-7(5-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1-6H,(H,15,17)(H,16,18)
InChIKeyJCEVNTBJIWCFIH-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.91
Rot. Bonds2

About 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide

3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 70686162) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
PubChem CID70686162
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2/c13-9-3-1-7(5-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1-6H,(H,15,17)(H,16,18)
InChIKeyJCEVNTBJIWCFIH-UHFFFAOYSA-N
XLogP1.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide 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 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide (CID 70686162) is 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide is O=C(Nc1ccc(=O)[nH]c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is JCEVNTBJIWCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-9-3-1-7(5-10(9)14)12(18)16-8-2-4-11(17)15-6-8/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide?
3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 250.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 70686162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).