2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine

C13H11Cl2NO — CID 62239031

IUPAC2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2cccc(CCl)n2)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-5-6-11(15)12(7-9)17-13-4-2-3-10(8-14)16-13/h2-7H,8H2,1H3
InChIKeySBTZCPJREGAIFE-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds3

About 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine

2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine (PubChem CID 62239031) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
PubChem CID62239031
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
SMILESCc1ccc(Cl)c(Oc2cccc(CCl)n2)c1
InChIInChI=1S/C13H11Cl2NO/c1-9-5-6-11(15)12(7-9)17-13-4-2-3-10(8-14)16-13/h2-7H,8H2,1H3
InChIKeySBTZCPJREGAIFE-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.57
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 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine (CID 62239031) is 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine is Cc1ccc(Cl)c(Oc2cccc(CCl)n2)c1.
What is the InChIKey of 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine?
The InChIKey is SBTZCPJREGAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-5-6-11(15)12(7-9)17-13-4-2-3-10(8-14)16-13/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine?
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine is sourced from PubChem (CID 62239031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).