4-(4-methylphenyl)pyridine-3-carbaldehyde

C13H11NO — CID 10878098

IUPAC4-(4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccncc2C=O)cc1
InChIInChI=1S/C13H11NO/c1-10-2-4-11(5-3-10)13-6-7-14-8-12(13)9-15/h2-9H,1H3
InChIKeyOKXDMCPUJXCGRL-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.87
Rot. Bonds2

About 4-(4-methylphenyl)pyridine-3-carbaldehyde

4-(4-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 10878098) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylphenyl)pyridine-3-carbaldehyde
PubChem CID10878098
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name4-(4-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccncc2C=O)cc1
InChIInChI=1S/C13H11NO/c1-10-2-4-11(5-3-10)13-6-7-14-8-12(13)9-15/h2-9H,1H3
InChIKeyOKXDMCPUJXCGRL-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(4-methylphenyl)pyridine-3-carbaldehyde (CID 10878098) is 4-(4-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-methylphenyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ccncc2C=O)cc1.
What is the InChIKey of 4-(4-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is OKXDMCPUJXCGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-2-4-11(5-3-10)13-6-7-14-8-12(13)9-15/h2-9H,1H3.
What are the key properties of 4-(4-methylphenyl)pyridine-3-carbaldehyde?
4-(4-methylphenyl)pyridine-3-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 4-(4-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 10878098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).