2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine

C15H16ClN — CID 155785052

IUPAC2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(Cl)ncc2C)cc1C
InChIInChI=1S/C15H16ClN/c1-9-5-11(3)13(6-10(9)2)14-7-15(16)17-8-12(14)4/h5-8H,1-4H3
InChIKeyDAZKJPYKQWBWQK-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.64
Rot. Bonds1

About 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine

2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine (PubChem CID 155785052) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
PubChem CID155785052
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine
SMILESCc1cc(C)c(-c2cc(Cl)ncc2C)cc1C
InChIInChI=1S/C15H16ClN/c1-9-5-11(3)13(6-10(9)2)14-7-15(16)17-8-12(14)4/h5-8H,1-4H3
InChIKeyDAZKJPYKQWBWQK-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine 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-5-methyl-4-(2,4,5-trimethylphenyl)pyridine?
The IUPAC name of 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine (CID 155785052) is 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine is Cc1cc(C)c(-c2cc(Cl)ncc2C)cc1C.
What is the InChIKey of 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine?
The InChIKey is DAZKJPYKQWBWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-9-5-11(3)13(6-10(9)2)14-7-15(16)17-8-12(14)4/h5-8H,1-4H3.
What are the key properties of 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine?
2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine has a molecular weight of 245.75 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2,4,5-trimethylphenyl)pyridine is sourced from PubChem (CID 155785052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).