6-oxo-1H-pyridine-3-carbonitrile

C6H4N2O — CID 7062197

IUPAC6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]c1
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKeyCCQUUHVUQQFTGV-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.25
Rot. Bonds

About 6-oxo-1H-pyridine-3-carbonitrile

6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 7062197) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-1H-pyridine-3-carbonitrile
PubChem CID7062197
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]c1
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKeyCCQUUHVUQQFTGV-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 6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-oxo-1H-pyridine-3-carbonitrile (CID 7062197) is 6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CCQUUHVUQQFTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9).
What are the key properties of 6-oxo-1H-pyridine-3-carbonitrile?
6-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 6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 7062197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).