8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde

C11H9BrN2O — CID 83844511

IUPAC8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CC2)n2cccc(Br)c12
InChIInChI=1S/C11H9BrN2O/c12-8-2-1-5-14-10(8)9(6-15)13-11(14)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyGKFWJAPONJKOQQ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.79
Rot. Bonds2

About 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde

8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 83844511) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID83844511
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CC2)n2cccc(Br)c12
InChIInChI=1S/C11H9BrN2O/c12-8-2-1-5-14-10(8)9(6-15)13-11(14)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyGKFWJAPONJKOQQ-UHFFFAOYSA-N
XLogP2.79
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 83844511) is 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C2CC2)n2cccc(Br)c12.
What is the InChIKey of 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is GKFWJAPONJKOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-8-2-1-5-14-10(8)9(6-15)13-11(14)7-3-4-7/h1-2,5-7H,3-4H2.
What are the key properties of 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde?
8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 265.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 83844511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).