5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile

C13H9N3O — CID 86680485

IUPAC5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
SMILESCC(=O)c1ccc(-c2ccc(C#N)nc2)cn1
InChIInChI=1S/C13H9N3O/c1-9(17)13-5-3-11(8-16-13)10-2-4-12(6-14)15-7-10/h2-5,7-8H,1H3
InChIKeyCPJJTQCKZFQPIB-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.22
Rot. Bonds2

About 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile

5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile (PubChem CID 86680485) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
PubChem CID86680485
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
SMILESCC(=O)c1ccc(-c2ccc(C#N)nc2)cn1
InChIInChI=1S/C13H9N3O/c1-9(17)13-5-3-11(8-16-13)10-2-4-12(6-14)15-7-10/h2-5,7-8H,1H3
InChIKeyCPJJTQCKZFQPIB-UHFFFAOYSA-N
XLogP2.22
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(6-acetyl-3-pyridinyl)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 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile (CID 86680485) is 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile is CC(=O)c1ccc(-c2ccc(C#N)nc2)cn1.
What is the InChIKey of 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is CPJJTQCKZFQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-9(17)13-5-3-11(8-16-13)10-2-4-12(6-14)15-7-10/h2-5,7-8H,1H3.
What are the key properties of 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile?
5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 86680485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).