2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile

C11H7N3O — CID 2747085

IUPAC2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C11H7N3O/c12-7-8-4-5-10(14-11(8)15)9-3-1-2-6-13-9/h1-6H,(H,14,15)
InChIKeySYIROVGISVODAH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.31
Rot. Bonds1

About 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile

2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 2747085) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
PubChem CID2747085
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C11H7N3O/c12-7-8-4-5-10(14-11(8)15)9-3-1-2-6-13-9/h1-6H,(H,14,15)
InChIKeySYIROVGISVODAH-UHFFFAOYSA-N
XLogP1.31
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile (CID 2747085) is 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is SYIROVGISVODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c12-7-8-4-5-10(14-11(8)15)9-3-1-2-6-13-9/h1-6H,(H,14,15).
What are the key properties of 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 197.20 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2747085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).