3-fluoro-2-oxo-1H-pyridine-4-carbonitrile

C6H3FN2O — CID 55299064

IUPAC3-fluoro-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H3FN2O/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10)
InChIKeyLWOAGOBKGWDVLW-UHFFFAOYSA-N
MW138.10 g/mol
LogP0.39
Rot. Bonds

About 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile

3-fluoro-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 55299064) has the molecular formula C6H3FN2O and a molecular weight of 138.10 g/mol. Its IUPAC name is 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-fluoro-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID55299064
Molecular FormulaC6H3FN2O
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name3-fluoro-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc[nH]c(=O)c1F
InChIInChI=1S/C6H3FN2O/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10)
InChIKeyLWOAGOBKGWDVLW-UHFFFAOYSA-N
XLogP0.39
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile 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-fluoro-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile (CID 55299064) is 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is LWOAGOBKGWDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O/c7-5-4(3-8)1-2-9-6(5)10/h1-2H,(H,9,10).
What are the key properties of 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile?
3-fluoro-2-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 138.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 55299064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).