2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile

C11H10N2 — CID 171567060

IUPAC2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
SMILESC=Cc1cncc(CC#N)c1C=C
InChIInChI=1S/C11H10N2/c1-3-9-7-13-8-10(5-6-12)11(9)4-2/h3-4,7-8H,1-2,5H2
InChIKeyJAOQIFFEXFEWHB-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.43
Rot. Bonds3

About 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile

2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile (PubChem CID 171567060) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
PubChem CID171567060
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
SMILESC=Cc1cncc(CC#N)c1C=C
InChIInChI=1S/C11H10N2/c1-3-9-7-13-8-10(5-6-12)11(9)4-2/h3-4,7-8H,1-2,5H2
InChIKeyJAOQIFFEXFEWHB-UHFFFAOYSA-N
XLogP2.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile 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-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile (CID 171567060) is 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile is C=Cc1cncc(CC#N)c1C=C.
What is the InChIKey of 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile?
The InChIKey is JAOQIFFEXFEWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-9-7-13-8-10(5-6-12)11(9)4-2/h3-4,7-8H,1-2,5H2.
What are the key properties of 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile?
2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 171567060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).