6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde

C15H15NO — CID 96603974

IUPAC6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde
SMILESCc1ccc(C)c(Cc2ccc(C=O)cn2)c1
InChIInChI=1S/C15H15NO/c1-11-3-4-12(2)14(7-11)8-15-6-5-13(10-17)9-16-15/h3-7,9-10H,8H2,1-2H3
InChIKeyYOMJFLOVFSKNAM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds3

About 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde

6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde (PubChem CID 96603974) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde
PubChem CID96603974
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde
SMILESCc1ccc(C)c(Cc2ccc(C=O)cn2)c1
InChIInChI=1S/C15H15NO/c1-11-3-4-12(2)14(7-11)8-15-6-5-13(10-17)9-16-15/h3-7,9-10H,8H2,1-2H3
InChIKeyYOMJFLOVFSKNAM-UHFFFAOYSA-N
XLogP3.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
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 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde (CID 96603974) is 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde is Cc1ccc(C)c(Cc2ccc(C=O)cn2)c1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde?
The InChIKey is YOMJFLOVFSKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-3-4-12(2)14(7-11)8-15-6-5-13(10-17)9-16-15/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde?
6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 96603974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).