5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde

C12H13BrN2O — CID 84743489

IUPAC5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCC(C)(C)c1nc(C=O)c2cccc(Br)n12
InChIInChI=1S/C12H13BrN2O/c1-12(2,3)11-14-8(7-16)9-5-4-6-10(13)15(9)11/h4-7H,1-3H3
InChIKeyRTSLZTUGGPENJP-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.21
Rot. Bonds1

About 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde

5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743489) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743489
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCC(C)(C)c1nc(C=O)c2cccc(Br)n12
InChIInChI=1S/C12H13BrN2O/c1-12(2,3)11-14-8(7-16)9-5-4-6-10(13)15(9)11/h4-7H,1-3H3
InChIKeyRTSLZTUGGPENJP-UHFFFAOYSA-N
XLogP3.21
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743489) is 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde is CC(C)(C)c1nc(C=O)c2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is RTSLZTUGGPENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-12(2,3)11-14-8(7-16)9-5-4-6-10(13)15(9)11/h4-7H,1-3H3.
What are the key properties of 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde?
5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 281.15 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).