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

C6H4N2O — CID 577543

IUPAC2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc[nH]c1=O
InChIInChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChIKeyDYUMBFTYRJMAFK-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.25
Rot. Bonds

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

2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 577543) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3-carbonitrile
PubChem CID577543
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc[nH]c1=O
InChIInChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChIKeyDYUMBFTYRJMAFK-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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1H-pyridine-3-carbonitrile (CID 577543) is 2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DYUMBFTYRJMAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9).
What are the key properties of 2-oxo-1H-pyridine-3-carbonitrile?
2-oxo-1H-pyridine-3-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 2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 577543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).