2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile

C10H9N3 — CID 14141232

IUPAC2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile
SMILESCC1=CN(C)C(=C(C#N)C#N)C=C1
InChIInChI=1S/C10H9N3/c1-8-3-4-10(13(2)7-8)9(5-11)6-12/h3-4,7H,1-2H3
InChIKeyJFAHLVHIRYSMPI-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.69
Rot. Bonds

About 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile

2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile (PubChem CID 14141232) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile
PubChem CID14141232
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile
SMILESCC1=CN(C)C(=C(C#N)C#N)C=C1
InChIInChI=1S/C10H9N3/c1-8-3-4-10(13(2)7-8)9(5-11)6-12/h3-4,7H,1-2H3
InChIKeyJFAHLVHIRYSMPI-UHFFFAOYSA-N
XLogP1.69
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile 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-(1,5-dimethyl-2-pyridinylidene)propanedinitrile?
The IUPAC name of 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile (CID 14141232) is 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile.
What is the SMILES notation for 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile?
The canonical SMILES for 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile is CC1=CN(C)C(=C(C#N)C#N)C=C1.
What is the InChIKey of 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile?
The InChIKey is JFAHLVHIRYSMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-8-3-4-10(13(2)7-8)9(5-11)6-12/h3-4,7H,1-2H3.
What are the key properties of 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile?
2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile has a molecular weight of 171.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-2-pyridinylidene)propanedinitrile is sourced from PubChem (CID 14141232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).