2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile

C14H10N2O — CID 143194342

IUPAC2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(-c2ccc(C=O)cc2)c(C#N)c1
InChIInChI=1S/C14H10N2O/c1-10-6-13(7-15)14(16-8-10)12-4-2-11(9-17)3-5-12/h2-6,8-9H,1H3
InChIKeyQBSXTJUCEXKUEU-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile

2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 143194342) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID143194342
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1cnc(-c2ccc(C=O)cc2)c(C#N)c1
InChIInChI=1S/C14H10N2O/c1-10-6-13(7-15)14(16-8-10)12-4-2-11(9-17)3-5-12/h2-6,8-9H,1H3
InChIKeyQBSXTJUCEXKUEU-UHFFFAOYSA-N
XLogP2.74
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-formylphenyl)-5-methylpyridine-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-formylphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile (CID 143194342) is 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile is Cc1cnc(-c2ccc(C=O)cc2)c(C#N)c1.
What is the InChIKey of 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is QBSXTJUCEXKUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-10-6-13(7-15)14(16-8-10)12-4-2-11(9-17)3-5-12/h2-6,8-9H,1H3.
What are the key properties of 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile?
2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 143194342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).