2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile

C16H14N4 — CID 158344901

IUPAC2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccn2)CC1.N#CCc1ccccn1
InChIInChI=1S/C9H8N2.C7H6N2/c10-7-9(4-5-9)8-3-1-2-6-11-8;8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2;1-3,6H,4H2
InChIKeyGRPNBBRNMIKZMK-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.78
Rot. Bonds2

About 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile

2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile (PubChem CID 158344901) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile
PubChem CID158344901
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccn2)CC1.N#CCc1ccccn1
InChIInChI=1S/C9H8N2.C7H6N2/c10-7-9(4-5-9)8-3-1-2-6-11-8;8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2;1-3,6H,4H2
InChIKeyGRPNBBRNMIKZMK-UHFFFAOYSA-N
XLogP2.78
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-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 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile?
The IUPAC name of 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile (CID 158344901) is 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile is N#CC1(c2ccccn2)CC1.N#CCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile?
The InChIKey is GRPNBBRNMIKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C7H6N2/c10-7-9(4-5-9)8-3-1-2-6-11-8;8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2;1-3,6H,4H2.
What are the key properties of 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile?
2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 158344901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).