2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine

C14H20ClNO — CID 63446435

IUPAC2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
SMILESCCC1CCCCC1Oc1cccc(CCl)n1
InChIInChI=1S/C14H20ClNO/c1-2-11-6-3-4-8-13(11)17-14-9-5-7-12(10-15)16-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3
InChIKeyCPVVIHFUTZNSIA-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.17
Rot. Bonds4

About 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine

2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine (PubChem CID 63446435) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
PubChem CID63446435
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
SMILESCCC1CCCCC1Oc1cccc(CCl)n1
InChIInChI=1S/C14H20ClNO/c1-2-11-6-3-4-8-13(11)17-14-9-5-7-12(10-15)16-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3
InChIKeyCPVVIHFUTZNSIA-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine 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)-6-(2-ethylcyclohexyl)oxypyridine?
The IUPAC name of 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine (CID 63446435) is 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine is CCC1CCCCC1Oc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine?
The InChIKey is CPVVIHFUTZNSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-11-6-3-4-8-13(11)17-14-9-5-7-12(10-15)16-14/h5,7,9,11,13H,2-4,6,8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine?
2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine has a molecular weight of 253.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine is sourced from PubChem (CID 63446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).