3-(3-bromophenyl)-5-(chloromethyl)pyridine

C12H9BrClN — CID 165454262

IUPAC3-(3-bromophenyl)-5-(chloromethyl)pyridine
SMILESClCc1cncc(-c2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClN/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H,6H2
InChIKeyZUOFQZFGUOLLSJ-UHFFFAOYSA-N
MW282.57 g/mol
LogP4.25
Rot. Bonds2

About 3-(3-bromophenyl)-5-(chloromethyl)pyridine

3-(3-bromophenyl)-5-(chloromethyl)pyridine (PubChem CID 165454262) has the molecular formula C12H9BrClN and a molecular weight of 282.57 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-(chloromethyl)pyridine
PubChem CID165454262
Molecular FormulaC12H9BrClN
Molecular Weight282.57 g/mol
Exact Mass280.96
IUPAC Name3-(3-bromophenyl)-5-(chloromethyl)pyridine
SMILESClCc1cncc(-c2cccc(Br)c2)c1
InChIInChI=1S/C12H9BrClN/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H,6H2
InChIKeyZUOFQZFGUOLLSJ-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-bromophenyl)-5-(chloromethyl)pyridine?
The IUPAC name of 3-(3-bromophenyl)-5-(chloromethyl)pyridine (CID 165454262) is 3-(3-bromophenyl)-5-(chloromethyl)pyridine.
What is the SMILES notation for 3-(3-bromophenyl)-5-(chloromethyl)pyridine?
The canonical SMILES for 3-(3-bromophenyl)-5-(chloromethyl)pyridine is ClCc1cncc(-c2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenyl)-5-(chloromethyl)pyridine?
The InChIKey is ZUOFQZFGUOLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H,6H2.
What are the key properties of 3-(3-bromophenyl)-5-(chloromethyl)pyridine?
3-(3-bromophenyl)-5-(chloromethyl)pyridine has a molecular weight of 282.57 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-(chloromethyl)pyridine is sourced from PubChem (CID 165454262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).