6-bromo-1H-imidazo[4,5-b]pyridine

C6H4BrN3 — CID 911578

IUPAC6-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc[nH]c2c1
InChIInChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyXPHWCAKVRKUXLK-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 6-bromo-1H-imidazo[4,5-b]pyridine

6-bromo-1H-imidazo[4,5-b]pyridine (PubChem CID 911578) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-1H-imidazo[4,5-b]pyridine
PubChem CID911578
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name6-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc[nH]c2c1
InChIInChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyXPHWCAKVRKUXLK-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine (CID 911578) is 6-bromo-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc[nH]c2c1.
What is the InChIKey of 6-bromo-1H-imidazo[4,5-b]pyridine?
The InChIKey is XPHWCAKVRKUXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H,(H,8,9,10).
What are the key properties of 6-bromo-1H-imidazo[4,5-b]pyridine?
6-bromo-1H-imidazo[4,5-b]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 911578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).