5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine

C17H20BrN — CID 139352142

IUPAC5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine
SMILESCCC(C)(C)c1cccc(-c2cc(C)c(Br)cn2)c1
InChIInChI=1S/C17H20BrN/c1-5-17(3,4)14-8-6-7-13(10-14)16-9-12(2)15(18)11-19-16/h6-11H,5H2,1-4H3
InChIKeyHCHTYIAIUNXZKW-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.51
Rot. Bonds3

About 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine

5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine (PubChem CID 139352142) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine
PubChem CID139352142
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine
SMILESCCC(C)(C)c1cccc(-c2cc(C)c(Br)cn2)c1
InChIInChI=1S/C17H20BrN/c1-5-17(3,4)14-8-6-7-13(10-14)16-9-12(2)15(18)11-19-16/h6-11H,5H2,1-4H3
InChIKeyHCHTYIAIUNXZKW-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine?
The IUPAC name of 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine (CID 139352142) is 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine is CCC(C)(C)c1cccc(-c2cc(C)c(Br)cn2)c1.
What is the InChIKey of 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine?
The InChIKey is HCHTYIAIUNXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-5-17(3,4)14-8-6-7-13(10-14)16-9-12(2)15(18)11-19-16/h6-11H,5H2,1-4H3.
What are the key properties of 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine?
5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine has a molecular weight of 318.26 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[3-(2-methylbutan-2-yl)phenyl]pyridine is sourced from PubChem (CID 139352142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).