3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine

C14H19Cl2NO — CID 64730402

IUPAC3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine
SMILESCC1CC(C)CC(Oc2ncc(CCl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-10(2)5-12(4-9)18-14-13(16)6-11(7-15)8-17-14/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyCTONTSGUPITLKQ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.68
Rot. Bonds3

About 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine

3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine (PubChem CID 64730402) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine
PubChem CID64730402
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine
SMILESCC1CC(C)CC(Oc2ncc(CCl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2NO/c1-9-3-10(2)5-12(4-9)18-14-13(16)6-11(7-15)8-17-14/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyCTONTSGUPITLKQ-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)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 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine (CID 64730402) is 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine is CC1CC(C)CC(Oc2ncc(CCl)cc2Cl)C1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine?
The InChIKey is CTONTSGUPITLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-3-10(2)5-12(4-9)18-14-13(16)6-11(7-15)8-17-14/h6,8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine?
3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine has a molecular weight of 288.22 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-(3,5-dimethylcyclohexyl)oxypyridine is sourced from PubChem (CID 64730402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).