2-(chloromethyl)-5-ethoxypyridine;hydrochloride

C8H11Cl2NO — CID 14751741

IUPAC2-(chloromethyl)-5-ethoxypyridine;hydrochloride
SMILESCCOc1ccc(CCl)nc1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)10-6-8;/h3-4,6H,2,5H2,1H3;1H
InChIKeyHBJUVVNQGJLIGO-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.64
Rot. Bonds3

About 2-(chloromethyl)-5-ethoxypyridine;hydrochloride

2-(chloromethyl)-5-ethoxypyridine;hydrochloride (PubChem CID 14751741) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-(chloromethyl)-5-ethoxypyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5-ethoxypyridine;hydrochloride
PubChem CID14751741
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-(chloromethyl)-5-ethoxypyridine;hydrochloride
SMILESCCOc1ccc(CCl)nc1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)10-6-8;/h3-4,6H,2,5H2,1H3;1H
InChIKeyHBJUVVNQGJLIGO-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-5-ethoxypyridine;hydrochloride 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)-5-ethoxypyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5-ethoxypyridine;hydrochloride (CID 14751741) is 2-(chloromethyl)-5-ethoxypyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5-ethoxypyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5-ethoxypyridine;hydrochloride is CCOc1ccc(CCl)nc1.Cl.
What is the InChIKey of 2-(chloromethyl)-5-ethoxypyridine;hydrochloride?
The InChIKey is HBJUVVNQGJLIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)10-6-8;/h3-4,6H,2,5H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-5-ethoxypyridine;hydrochloride?
2-(chloromethyl)-5-ethoxypyridine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-ethoxypyridine;hydrochloride is sourced from PubChem (CID 14751741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).