2,5-dihydropyridine-5-carbonitrile

C6H6N2 — CID 91426214

IUPAC2,5-dihydropyridine-5-carbonitrile
SMILESN#CC1C=CCN=C1
InChIInChI=1S/C6H6N2/c7-4-6-2-1-3-8-5-6/h1-2,5-6H,3H2
InChIKeyUDUXCSSLOXGVHS-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.77
Rot. Bonds

About 2,5-dihydropyridine-5-carbonitrile

2,5-dihydropyridine-5-carbonitrile (PubChem CID 91426214) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 2,5-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name2,5-dihydropyridine-5-carbonitrile
PubChem CID91426214
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name2,5-dihydropyridine-5-carbonitrile
SMILESN#CC1C=CCN=C1
InChIInChI=1S/C6H6N2/c7-4-6-2-1-3-8-5-6/h1-2,5-6H,3H2
InChIKeyUDUXCSSLOXGVHS-UHFFFAOYSA-N
XLogP0.77
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dihydropyridine-5-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 2,5-dihydropyridine-5-carbonitrile?
The IUPAC name of 2,5-dihydropyridine-5-carbonitrile (CID 91426214) is 2,5-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 2,5-dihydropyridine-5-carbonitrile?
The canonical SMILES for 2,5-dihydropyridine-5-carbonitrile is N#CC1C=CCN=C1.
What is the InChIKey of 2,5-dihydropyridine-5-carbonitrile?
The InChIKey is UDUXCSSLOXGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-4-6-2-1-3-8-5-6/h1-2,5-6H,3H2.
What are the key properties of 2,5-dihydropyridine-5-carbonitrile?
2,5-dihydropyridine-5-carbonitrile has a molecular weight of 106.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 91426214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).