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

C13H18BrN — CID 83920301

IUPAC3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ncc(C2CCC2)cc1Br
InChIInChI=1S/C13H18BrN/c1-9(2)6-13-12(14)7-11(8-15-13)10-4-3-5-10/h7-10H,3-6H2,1-2H3
InChIKeyILYZQPBONGPPJY-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine

3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine (PubChem CID 83920301) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine
PubChem CID83920301
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ncc(C2CCC2)cc1Br
InChIInChI=1S/C13H18BrN/c1-9(2)6-13-12(14)7-11(8-15-13)10-4-3-5-10/h7-10H,3-6H2,1-2H3
InChIKeyILYZQPBONGPPJY-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine?
The IUPAC name of 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine (CID 83920301) is 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine.
What is the SMILES notation for 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine?
The canonical SMILES for 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine is CC(C)Cc1ncc(C2CCC2)cc1Br.
What is the InChIKey of 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine?
The InChIKey is ILYZQPBONGPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(2)6-13-12(14)7-11(8-15-13)10-4-3-5-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine?
3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine has a molecular weight of 268.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclobutyl-2-(2-methylpropyl)pyridine is sourced from PubChem (CID 83920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).