6-methyl-5-phenylpyridine-2-carbaldehyde

C13H11NO — CID 171066031

IUPAC6-methyl-5-phenylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C13H11NO/c1-10-13(8-7-12(9-15)14-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUAKSEFQFYOKATP-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.87
Rot. Bonds2

About 6-methyl-5-phenylpyridine-2-carbaldehyde

6-methyl-5-phenylpyridine-2-carbaldehyde (PubChem CID 171066031) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-methyl-5-phenylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-5-phenylpyridine-2-carbaldehyde
PubChem CID171066031
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name6-methyl-5-phenylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C13H11NO/c1-10-13(8-7-12(9-15)14-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUAKSEFQFYOKATP-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-5-phenylpyridine-2-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 6-methyl-5-phenylpyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-5-phenylpyridine-2-carbaldehyde (CID 171066031) is 6-methyl-5-phenylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-5-phenylpyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-5-phenylpyridine-2-carbaldehyde is Cc1nc(C=O)ccc1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenylpyridine-2-carbaldehyde?
The InChIKey is UAKSEFQFYOKATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-13(8-7-12(9-15)14-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-5-phenylpyridine-2-carbaldehyde?
6-methyl-5-phenylpyridine-2-carbaldehyde has a molecular weight of 197.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylpyridine-2-carbaldehyde is sourced from PubChem (CID 171066031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).