2,5-dimethylpyridine-3-carbaldehyde

C8H9NO — CID 18731661

IUPAC2,5-dimethylpyridine-3-carbaldehyde
SMILESCc1cnc(C)c(C=O)c1
InChIInChI=1S/C8H9NO/c1-6-3-8(5-10)7(2)9-4-6/h3-5H,1-2H3
InChIKeyMTZPFDHRHGDFCN-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds1

About 2,5-dimethylpyridine-3-carbaldehyde

2,5-dimethylpyridine-3-carbaldehyde (PubChem CID 18731661) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,5-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethylpyridine-3-carbaldehyde
PubChem CID18731661
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,5-dimethylpyridine-3-carbaldehyde
SMILESCc1cnc(C)c(C=O)c1
InChIInChI=1S/C8H9NO/c1-6-3-8(5-10)7(2)9-4-6/h3-5H,1-2H3
InChIKeyMTZPFDHRHGDFCN-UHFFFAOYSA-N
XLogP1.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethylpyridine-3-carbaldehyde 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-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 2,5-dimethylpyridine-3-carbaldehyde (CID 18731661) is 2,5-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 2,5-dimethylpyridine-3-carbaldehyde is Cc1cnc(C)c(C=O)c1.
What is the InChIKey of 2,5-dimethylpyridine-3-carbaldehyde?
The InChIKey is MTZPFDHRHGDFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-8(5-10)7(2)9-4-6/h3-5H,1-2H3.
What are the key properties of 2,5-dimethylpyridine-3-carbaldehyde?
2,5-dimethylpyridine-3-carbaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 18731661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).