6-formyl-4-methylpyridine-3-carbonitrile

C8H6N2O — CID 131440294

IUPAC6-formyl-4-methylpyridine-3-carbonitrile
SMILESCc1cc(C=O)ncc1C#N
InChIInChI=1S/C8H6N2O/c1-6-2-8(5-11)10-4-7(6)3-9/h2,4-5H,1H3
InChIKeyBCAKEDBADMMEHO-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.07
Rot. Bonds1

About 6-formyl-4-methylpyridine-3-carbonitrile

6-formyl-4-methylpyridine-3-carbonitrile (PubChem CID 131440294) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 6-formyl-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-formyl-4-methylpyridine-3-carbonitrile
PubChem CID131440294
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name6-formyl-4-methylpyridine-3-carbonitrile
SMILESCc1cc(C=O)ncc1C#N
InChIInChI=1S/C8H6N2O/c1-6-2-8(5-11)10-4-7(6)3-9/h2,4-5H,1H3
InChIKeyBCAKEDBADMMEHO-UHFFFAOYSA-N
XLogP1.07
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-formyl-4-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 6-formyl-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-formyl-4-methylpyridine-3-carbonitrile (CID 131440294) is 6-formyl-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-formyl-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-formyl-4-methylpyridine-3-carbonitrile is Cc1cc(C=O)ncc1C#N.
What is the InChIKey of 6-formyl-4-methylpyridine-3-carbonitrile?
The InChIKey is BCAKEDBADMMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-6-2-8(5-11)10-4-7(6)3-9/h2,4-5H,1H3.
What are the key properties of 6-formyl-4-methylpyridine-3-carbonitrile?
6-formyl-4-methylpyridine-3-carbonitrile has a molecular weight of 146.15 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 131440294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).