2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile

C14H12N2O — CID 70343483

IUPAC2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ncccc2C#N)c(C)c1
InChIInChI=1S/C14H12N2O/c1-10-8-12(17-2)5-6-13(10)14-11(9-15)4-3-7-16-14/h3-8H,1-2H3
InChIKeyCNSSDWSYSUJUTM-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile

2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 70343483) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
PubChem CID70343483
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ncccc2C#N)c(C)c1
InChIInChI=1S/C14H12N2O/c1-10-8-12(17-2)5-6-13(10)14-11(9-15)4-3-7-16-14/h3-8H,1-2H3
InChIKeyCNSSDWSYSUJUTM-UHFFFAOYSA-N
XLogP2.94
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxy-2-methylphenyl)pyridine-3-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-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile (CID 70343483) is 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ncccc2C#N)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is CNSSDWSYSUJUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-10-8-12(17-2)5-6-13(10)14-11(9-15)4-3-7-16-14/h3-8H,1-2H3.
What are the key properties of 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile?
2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 70343483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).