4-(2-methylpropyl)pyridine-2-carbaldehyde

C10H13NO — CID 130153005

IUPAC4-(2-methylpropyl)pyridine-2-carbaldehyde
SMILESCC(C)Cc1ccnc(C=O)c1
InChIInChI=1S/C10H13NO/c1-8(2)5-9-3-4-11-10(6-9)7-12/h3-4,6-8H,5H2,1-2H3
InChIKeyBOYUTOLRIIKOEZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.09
Rot. Bonds3

About 4-(2-methylpropyl)pyridine-2-carbaldehyde

4-(2-methylpropyl)pyridine-2-carbaldehyde (PubChem CID 130153005) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(2-methylpropyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpropyl)pyridine-2-carbaldehyde
PubChem CID130153005
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(2-methylpropyl)pyridine-2-carbaldehyde
SMILESCC(C)Cc1ccnc(C=O)c1
InChIInChI=1S/C10H13NO/c1-8(2)5-9-3-4-11-10(6-9)7-12/h3-4,6-8H,5H2,1-2H3
InChIKeyBOYUTOLRIIKOEZ-UHFFFAOYSA-N
XLogP2.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-methylpropyl)pyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
CID 84772622
N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
CID 166762860
4-propan-2-ylpyridine-2-carbaldehyde
CID 87453766
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
5-(2-methylpropyl)pyrimidine-2-carbaldehyde
CID 163243316
4-(2-formyl-4-pyridinyl)pyridine-2-carbaldehyde
CID 22625289
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane
CID 88673400
2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine
CID 177351383
4-acetylpyridine-2-carbaldehyde;ethane
CID 142622199
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-(2-methylpropyl)pyridine-2-carbaldehyde (CID 130153005) is 4-(2-methylpropyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(2-methylpropyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(2-methylpropyl)pyridine-2-carbaldehyde is CC(C)Cc1ccnc(C=O)c1.
What is the InChIKey of 4-(2-methylpropyl)pyridine-2-carbaldehyde?
The InChIKey is BOYUTOLRIIKOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)5-9-3-4-11-10(6-9)7-12/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)pyridine-2-carbaldehyde?
4-(2-methylpropyl)pyridine-2-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 130153005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).