6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine

C13H18BrN3 — CID 55260714

IUPAC6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(Cc1nc2ncc(Br)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H18BrN3/c1-8(13(2,3)4)5-11-16-10-6-9(14)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyLPNZYYVQFBINHG-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.95
Rot. Bonds2

About 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 55260714) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
PubChem CID55260714
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
SMILESCC(Cc1nc2ncc(Br)cc2[nH]1)C(C)(C)C
InChIInChI=1S/C13H18BrN3/c1-8(13(2,3)4)5-11-16-10-6-9(14)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,15,16,17)
InChIKeyLPNZYYVQFBINHG-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine (CID 55260714) is 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine is CC(Cc1nc2ncc(Br)cc2[nH]1)C(C)(C)C.
What is the InChIKey of 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LPNZYYVQFBINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-8(13(2,3)4)5-11-16-10-6-9(14)7-15-12(10)17-11/h6-8H,5H2,1-4H3,(H,15,16,17).
What are the key properties of 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 296.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 55260714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).