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

C7H4BrN3O — CID 143055815

IUPAC6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde
SMILESO=Cc1nc2nc[nH]c2cc1Br
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-7(10-3-9-5)11-6(4)2-12/h1-3H,(H,9,10,11)
InChIKeyGHNNQVJCBIYVIC-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.53
Rot. Bonds1

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

6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde (PubChem CID 143055815) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde
PubChem CID143055815
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde
SMILESO=Cc1nc2nc[nH]c2cc1Br
InChIInChI=1S/C7H4BrN3O/c8-4-1-5-7(10-3-9-5)11-6(4)2-12/h1-3H,(H,9,10,11)
InChIKeyGHNNQVJCBIYVIC-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde?
The IUPAC name of 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde (CID 143055815) is 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde?
The canonical SMILES for 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde is O=Cc1nc2nc[nH]c2cc1Br.
What is the InChIKey of 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde?
The InChIKey is GHNNQVJCBIYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-4-1-5-7(10-3-9-5)11-6(4)2-12/h1-3H,(H,9,10,11).
What are the key properties of 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde?
6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[4,5-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 143055815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).