5-bromo-2-(2-methylpropyl)pyridine

C9H12BrN — CID 22392012

IUPAC5-bromo-2-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN/c1-7(2)5-9-4-3-8(10)6-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyVDFLEFNRQLYKCZ-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.04
Rot. Bonds2

About 5-bromo-2-(2-methylpropyl)pyridine

5-bromo-2-(2-methylpropyl)pyridine (PubChem CID 22392012) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropyl)pyridine
PubChem CID22392012
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name5-bromo-2-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN/c1-7(2)5-9-4-3-8(10)6-11-9/h3-4,6-7H,5H2,1-2H3
InChIKeyVDFLEFNRQLYKCZ-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(2-methylpropyl)pyridine (CID 22392012) is 5-bromo-2-(2-methylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-methylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-methylpropyl)pyridine is CC(C)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-methylpropyl)pyridine?
The InChIKey is VDFLEFNRQLYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7(2)5-9-4-3-8(10)6-11-9/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylpropyl)pyridine?
5-bromo-2-(2-methylpropyl)pyridine has a molecular weight of 214.11 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropyl)pyridine is sourced from PubChem (CID 22392012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).