5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine

C14H12BrCl2NO — CID 63446614

IUPAC5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
SMILESCc1cc(Cl)cc(C)c1Oc1ncc(Br)cc1CCl
InChIInChI=1S/C14H12BrCl2NO/c1-8-3-12(17)4-9(2)13(8)19-14-10(6-16)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3
InChIKeyOCZPIHWPAITKKW-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.65
Rot. Bonds3

About 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine

5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine (PubChem CID 63446614) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
PubChem CID63446614
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
SMILESCc1cc(Cl)cc(C)c1Oc1ncc(Br)cc1CCl
InChIInChI=1S/C14H12BrCl2NO/c1-8-3-12(17)4-9(2)13(8)19-14-10(6-16)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3
InChIKeyOCZPIHWPAITKKW-UHFFFAOYSA-N
XLogP5.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.65
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 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine?
The IUPAC name of 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine (CID 63446614) is 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine is Cc1cc(Cl)cc(C)c1Oc1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine?
The InChIKey is OCZPIHWPAITKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-8-3-12(17)4-9(2)13(8)19-14-10(6-16)5-11(15)7-18-14/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine?
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine has a molecular weight of 361.07 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine is sourced from PubChem (CID 63446614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).