4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine

C10H12BrN — CID 177353845

IUPAC4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine
SMILESCC(C)=Cc1c(Br)ccnc1C
InChIInChI=1S/C10H12BrN/c1-7(2)6-9-8(3)12-5-4-10(9)11/h4-6H,1-3H3
InChIKeyIHZRXIJUFUOXKS-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.58
Rot. Bonds1

About 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine

4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine (PubChem CID 177353845) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine
PubChem CID177353845
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine
SMILESCC(C)=Cc1c(Br)ccnc1C
InChIInChI=1S/C10H12BrN/c1-7(2)6-9-8(3)12-5-4-10(9)11/h4-6H,1-3H3
InChIKeyIHZRXIJUFUOXKS-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine?
The IUPAC name of 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine (CID 177353845) is 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine.
What is the SMILES notation for 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine?
The canonical SMILES for 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine is CC(C)=Cc1c(Br)ccnc1C.
What is the InChIKey of 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine?
The InChIKey is IHZRXIJUFUOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7(2)6-9-8(3)12-5-4-10(9)11/h4-6H,1-3H3.
What are the key properties of 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine?
4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine has a molecular weight of 226.12 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-3-(2-methylprop-1-enyl)pyridine is sourced from PubChem (CID 177353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).