4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine

C13H20BrNO — CID 70869094

IUPAC4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine
SMILESCC(C)COc1cc(Br)cc(C(C)(C)C)n1
InChIInChI=1S/C13H20BrNO/c1-9(2)8-16-12-7-10(14)6-11(15-12)13(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyIGKJEBQBRMAQRC-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.18
Rot. Bonds3

About 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine

4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine (PubChem CID 70869094) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine
PubChem CID70869094
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine
SMILESCC(C)COc1cc(Br)cc(C(C)(C)C)n1
InChIInChI=1S/C13H20BrNO/c1-9(2)8-16-12-7-10(14)6-11(15-12)13(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyIGKJEBQBRMAQRC-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine?
The IUPAC name of 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine (CID 70869094) is 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine?
The canonical SMILES for 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine is CC(C)COc1cc(Br)cc(C(C)(C)C)n1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine?
The InChIKey is IGKJEBQBRMAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(2)8-16-12-7-10(14)6-11(15-12)13(3,4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine?
4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine has a molecular weight of 286.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-(2-methylpropoxy)pyridine is sourced from PubChem (CID 70869094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).