6-tert-butylpyridine-3-carbaldehyde

C10H13NO — CID 11240665

IUPAC6-tert-butylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1ccc(C=O)cn1
InChIInChI=1S/C10H13NO/c1-10(2,3)9-5-4-8(7-12)6-11-9/h4-7H,1-3H3
InChIKeyQOZRGMFRRCQYGU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.19
Rot. Bonds1

About 6-tert-butylpyridine-3-carbaldehyde

6-tert-butylpyridine-3-carbaldehyde (PubChem CID 11240665) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-tert-butylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-tert-butylpyridine-3-carbaldehyde
PubChem CID11240665
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6-tert-butylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1ccc(C=O)cn1
InChIInChI=1S/C10H13NO/c1-10(2,3)9-5-4-8(7-12)6-11-9/h4-7H,1-3H3
InChIKeyQOZRGMFRRCQYGU-UHFFFAOYSA-N
XLogP2.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-tert-butylpyridine-3-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-tert-butylpyridine-3-carbaldehyde?
The IUPAC name of 6-tert-butylpyridine-3-carbaldehyde (CID 11240665) is 6-tert-butylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-tert-butylpyridine-3-carbaldehyde?
The canonical SMILES for 6-tert-butylpyridine-3-carbaldehyde is CC(C)(C)c1ccc(C=O)cn1.
What is the InChIKey of 6-tert-butylpyridine-3-carbaldehyde?
The InChIKey is QOZRGMFRRCQYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2,3)9-5-4-8(7-12)6-11-9/h4-7H,1-3H3.
What are the key properties of 6-tert-butylpyridine-3-carbaldehyde?
6-tert-butylpyridine-3-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyridine-3-carbaldehyde is sourced from PubChem (CID 11240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).