5-(4-tert-butylphenyl)pyridine-2-carbaldehyde

C16H17NO — CID 87526262

IUPAC5-(4-tert-butylphenyl)pyridine-2-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ccc(C=O)nc2)cc1
InChIInChI=1S/C16H17NO/c1-16(2,3)14-7-4-12(5-8-14)13-6-9-15(11-18)17-10-13/h4-11H,1-3H3
InChIKeyQAMZLZSQAGBSNY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.86
Rot. Bonds2

About 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde

5-(4-tert-butylphenyl)pyridine-2-carbaldehyde (PubChem CID 87526262) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)pyridine-2-carbaldehyde
PubChem CID87526262
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5-(4-tert-butylphenyl)pyridine-2-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ccc(C=O)nc2)cc1
InChIInChI=1S/C16H17NO/c1-16(2,3)14-7-4-12(5-8-14)13-6-9-15(11-18)17-10-13/h4-11H,1-3H3
InChIKeyQAMZLZSQAGBSNY-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.86
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 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde (CID 87526262) is 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde is CC(C)(C)c1ccc(-c2ccc(C=O)nc2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde?
The InChIKey is QAMZLZSQAGBSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2,3)14-7-4-12(5-8-14)13-6-9-15(11-18)17-10-13/h4-11H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde?
5-(4-tert-butylphenyl)pyridine-2-carbaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 87526262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).