2-(2-bromo-3-methylbutyl)-5-chloropyridine

C10H13BrClN — CID 63204010

IUPAC2-(2-bromo-3-methylbutyl)-5-chloropyridine
SMILESCC(C)C(Br)Cc1ccc(Cl)cn1
InChIInChI=1S/C10H13BrClN/c1-7(2)10(11)5-9-4-3-8(12)6-13-9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyKPUIGHLALAZVMU-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-bromo-3-methylbutyl)-5-chloropyridine

2-(2-bromo-3-methylbutyl)-5-chloropyridine (PubChem CID 63204010) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 2-(2-bromo-3-methylbutyl)-5-chloropyridine.

Molecular Properties

Compound Name2-(2-bromo-3-methylbutyl)-5-chloropyridine
PubChem CID63204010
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name2-(2-bromo-3-methylbutyl)-5-chloropyridine
SMILESCC(C)C(Br)Cc1ccc(Cl)cn1
InChIInChI=1S/C10H13BrClN/c1-7(2)10(11)5-9-4-3-8(12)6-13-9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyKPUIGHLALAZVMU-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.70
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 2-(2-bromo-3-methylbutyl)-5-chloropyridine?
The IUPAC name of 2-(2-bromo-3-methylbutyl)-5-chloropyridine (CID 63204010) is 2-(2-bromo-3-methylbutyl)-5-chloropyridine.
What is the SMILES notation for 2-(2-bromo-3-methylbutyl)-5-chloropyridine?
The canonical SMILES for 2-(2-bromo-3-methylbutyl)-5-chloropyridine is CC(C)C(Br)Cc1ccc(Cl)cn1.
What is the InChIKey of 2-(2-bromo-3-methylbutyl)-5-chloropyridine?
The InChIKey is KPUIGHLALAZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-7(2)10(11)5-9-4-3-8(12)6-13-9/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 2-(2-bromo-3-methylbutyl)-5-chloropyridine?
2-(2-bromo-3-methylbutyl)-5-chloropyridine has a molecular weight of 262.58 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-methylbutyl)-5-chloropyridine is sourced from PubChem (CID 63204010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).