2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine

C15H16ClNO2 — CID 79168619

IUPAC2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
SMILESCc1ccc(OCCOc2ccccc2)c(CCl)n1
InChIInChI=1S/C15H16ClNO2/c1-12-7-8-15(14(11-16)17-12)19-10-9-18-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyOYPFZJMYXYPMGD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.59
Rot. Bonds6

About 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine

2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine (PubChem CID 79168619) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
PubChem CID79168619
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
SMILESCc1ccc(OCCOc2ccccc2)c(CCl)n1
InChIInChI=1S/C15H16ClNO2/c1-12-7-8-15(14(11-16)17-12)19-10-9-18-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyOYPFZJMYXYPMGD-UHFFFAOYSA-N
XLogP3.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine (CID 79168619) is 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine is Cc1ccc(OCCOc2ccccc2)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine?
The InChIKey is OYPFZJMYXYPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-12-7-8-15(14(11-16)17-12)19-10-9-18-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine?
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine has a molecular weight of 277.75 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine is sourced from PubChem (CID 79168619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).