4-(2-cyanoethenyl)pyridine-2-carbonitrile

C9H5N3 — CID 169483183

IUPAC4-(2-cyanoethenyl)pyridine-2-carbonitrile
SMILESN#CC=Cc1ccnc(C#N)c1
InChIInChI=1S/C9H5N3/c10-4-1-2-8-3-5-12-9(6-8)7-11/h1-3,5-6H
InChIKeyHEBJKNCSTFRCTR-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.49
Rot. Bonds1

About 4-(2-cyanoethenyl)pyridine-2-carbonitrile

4-(2-cyanoethenyl)pyridine-2-carbonitrile (PubChem CID 169483183) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-(2-cyanoethenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanoethenyl)pyridine-2-carbonitrile
PubChem CID169483183
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Name4-(2-cyanoethenyl)pyridine-2-carbonitrile
SMILESN#CC=Cc1ccnc(C#N)c1
InChIInChI=1S/C9H5N3/c10-4-1-2-8-3-5-12-9(6-8)7-11/h1-3,5-6H
InChIKeyHEBJKNCSTFRCTR-UHFFFAOYSA-N
XLogP1.49
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethenyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-cyanoethenyl)pyridine-2-carbonitrile (CID 169483183) is 4-(2-cyanoethenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-cyanoethenyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-cyanoethenyl)pyridine-2-carbonitrile is N#CC=Cc1ccnc(C#N)c1.
What is the InChIKey of 4-(2-cyanoethenyl)pyridine-2-carbonitrile?
The InChIKey is HEBJKNCSTFRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c10-4-1-2-8-3-5-12-9(6-8)7-11/h1-3,5-6H.
What are the key properties of 4-(2-cyanoethenyl)pyridine-2-carbonitrile?
4-(2-cyanoethenyl)pyridine-2-carbonitrile has a molecular weight of 155.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 169483183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).