3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine

C13H17Cl2NO — CID 63446263

IUPAC3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(Cl)c(CCl)n2)CC1
InChIInChI=1S/C13H17Cl2NO/c1-9-2-4-10(5-3-9)17-13-7-6-11(15)12(8-14)16-13/h6-7,9-10H,2-5,8H2,1H3
InChIKeyRLBYLHVVZIWURT-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.43
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine

3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine (PubChem CID 63446263) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
PubChem CID63446263
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(Cl)c(CCl)n2)CC1
InChIInChI=1S/C13H17Cl2NO/c1-9-2-4-10(5-3-9)17-13-7-6-11(15)12(8-14)16-13/h6-7,9-10H,2-5,8H2,1H3
InChIKeyRLBYLHVVZIWURT-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine (CID 63446263) is 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine is CC1CCC(Oc2ccc(Cl)c(CCl)n2)CC1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine?
The InChIKey is RLBYLHVVZIWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-2-4-10(5-3-9)17-13-7-6-11(15)12(8-14)16-13/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine?
3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine has a molecular weight of 274.19 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(4-methylcyclohexyl)oxypyridine is sourced from PubChem (CID 63446263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).