6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde

C15H15NO — CID 169180708

IUPAC6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
SMILESCC(C)c1ccccc1-c1cccc(C=O)n1
InChIInChI=1S/C15H15NO/c1-11(2)13-7-3-4-8-14(13)15-9-5-6-12(10-17)16-15/h3-11H,1-2H3
InChIKeyPKGRNZSXQXVLEH-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.68
Rot. Bonds3

About 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde

6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde (PubChem CID 169180708) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
PubChem CID169180708
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde
SMILESCC(C)c1ccccc1-c1cccc(C=O)n1
InChIInChI=1S/C15H15NO/c1-11(2)13-7-3-4-8-14(13)15-9-5-6-12(10-17)16-15/h3-11H,1-2H3
InChIKeyPKGRNZSXQXVLEH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-propan-2-ylphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde (CID 169180708) is 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde is CC(C)c1ccccc1-c1cccc(C=O)n1.
What is the InChIKey of 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde?
The InChIKey is PKGRNZSXQXVLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11(2)13-7-3-4-8-14(13)15-9-5-6-12(10-17)16-15/h3-11H,1-2H3.
What are the key properties of 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde?
6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-ylphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 169180708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).