2-chloro-3,4,6-trimethylpyridine

C8H10ClN — CID 19867372

IUPAC2-chloro-3,4,6-trimethylpyridine
SMILESCc1cc(C)c(C)c(Cl)n1
InChIInChI=1S/C8H10ClN/c1-5-4-6(2)10-8(9)7(5)3/h4H,1-3H3
InChIKeyCKFAUGYTGXHEGN-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.66
Rot. Bonds

About 2-chloro-3,4,6-trimethylpyridine

2-chloro-3,4,6-trimethylpyridine (PubChem CID 19867372) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-3,4,6-trimethylpyridine.

Molecular Properties

Compound Name2-chloro-3,4,6-trimethylpyridine
PubChem CID19867372
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-3,4,6-trimethylpyridine
SMILESCc1cc(C)c(C)c(Cl)n1
InChIInChI=1S/C8H10ClN/c1-5-4-6(2)10-8(9)7(5)3/h4H,1-3H3
InChIKeyCKFAUGYTGXHEGN-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3,4,6-trimethylpyridine 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 2-chloro-3,4,6-trimethylpyridine?
The IUPAC name of 2-chloro-3,4,6-trimethylpyridine (CID 19867372) is 2-chloro-3,4,6-trimethylpyridine.
What is the SMILES notation for 2-chloro-3,4,6-trimethylpyridine?
The canonical SMILES for 2-chloro-3,4,6-trimethylpyridine is Cc1cc(C)c(C)c(Cl)n1.
What is the InChIKey of 2-chloro-3,4,6-trimethylpyridine?
The InChIKey is CKFAUGYTGXHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-5-4-6(2)10-8(9)7(5)3/h4H,1-3H3.
What are the key properties of 2-chloro-3,4,6-trimethylpyridine?
2-chloro-3,4,6-trimethylpyridine has a molecular weight of 155.63 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,6-trimethylpyridine is sourced from PubChem (CID 19867372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).