2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine

C16H18ClNO2 — CID 14457930

IUPAC2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine
SMILESCc1c(OCCOCc2ccccc2)ccnc1CCl
InChIInChI=1S/C16H18ClNO2/c1-13-15(11-17)18-8-7-16(13)20-10-9-19-12-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyQZLZQRWEQLJNJX-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.72
Rot. Bonds7

About 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine

2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine (PubChem CID 14457930) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine
PubChem CID14457930
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine
SMILESCc1c(OCCOCc2ccccc2)ccnc1CCl
InChIInChI=1S/C16H18ClNO2/c1-13-15(11-17)18-8-7-16(13)20-10-9-19-12-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3
InChIKeyQZLZQRWEQLJNJX-UHFFFAOYSA-N
XLogP3.72
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)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-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine (CID 14457930) is 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine is Cc1c(OCCOCc2ccccc2)ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine?
The InChIKey is QZLZQRWEQLJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-13-15(11-17)18-8-7-16(13)20-10-9-19-12-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine?
2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine has a molecular weight of 291.78 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-4-(2-phenylmethoxyethoxy)pyridine is sourced from PubChem (CID 14457930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).