2-(4-chlorophenyl)-3-(methoxymethyl)pyridine

C13H12ClNO — CID 59165700

IUPAC2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
SMILESCOCc1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-16-9-11-3-2-8-15-13(11)10-4-6-12(14)7-5-10/h2-8H,9H2,1H3
InChIKeyLBENEZQFONYBJG-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine

2-(4-chlorophenyl)-3-(methoxymethyl)pyridine (PubChem CID 59165700) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
PubChem CID59165700
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
SMILESCOCc1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c1-16-9-11-3-2-8-15-13(11)10-4-6-12(14)7-5-10/h2-8H,9H2,1H3
InChIKeyLBENEZQFONYBJG-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-3-(methoxymethyl)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-(4-chlorophenyl)-3-(methoxymethyl)pyridine?
The IUPAC name of 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine (CID 59165700) is 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine is COCc1cccnc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine?
The InChIKey is LBENEZQFONYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-16-9-11-3-2-8-15-13(11)10-4-6-12(14)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine?
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine has a molecular weight of 233.70 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(methoxymethyl)pyridine is sourced from PubChem (CID 59165700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).