6-oxo-1H-pyridine-2-carbonitrile

C6H4N2O — CID 11240466

IUPAC6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H4N2O/c7-4-5-2-1-3-6(9)8-5/h1-3H,(H,8,9)
InChIKeyZGXSOXBXXNEYNE-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.25
Rot. Bonds

About 6-oxo-1H-pyridine-2-carbonitrile

6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 11240466) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-oxo-1H-pyridine-2-carbonitrile
PubChem CID11240466
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cccc(=O)[nH]1
InChIInChI=1S/C6H4N2O/c7-4-5-2-1-3-6(9)8-5/h1-3H,(H,8,9)
InChIKeyZGXSOXBXXNEYNE-UHFFFAOYSA-N
XLogP0.25
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-oxo-1H-pyridine-2-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 6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-oxo-1H-pyridine-2-carbonitrile (CID 11240466) is 6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-oxo-1H-pyridine-2-carbonitrile is N#Cc1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is ZGXSOXBXXNEYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-4-5-2-1-3-6(9)8-5/h1-3H,(H,8,9).
What are the key properties of 6-oxo-1H-pyridine-2-carbonitrile?
6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 120.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 11240466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).