2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde

C12H11BrN2O — CID 83904625

IUPAC2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde
SMILESO=CCc1cccn2c(C3CC3)nc(Br)c12
InChIInChI=1S/C12H11BrN2O/c13-11-10-8(5-7-16)2-1-6-15(10)12(14-11)9-3-4-9/h1-2,6-7,9H,3-5H2
InChIKeyRXQFPLSCAWTDHW-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.72
Rot. Bonds3

About 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde

2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde (PubChem CID 83904625) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde
PubChem CID83904625
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde
SMILESO=CCc1cccn2c(C3CC3)nc(Br)c12
InChIInChI=1S/C12H11BrN2O/c13-11-10-8(5-7-16)2-1-6-15(10)12(14-11)9-3-4-9/h1-2,6-7,9H,3-5H2
InChIKeyRXQFPLSCAWTDHW-UHFFFAOYSA-N
XLogP2.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.72
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 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde?
The IUPAC name of 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde (CID 83904625) is 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde.
What is the SMILES notation for 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde?
The canonical SMILES for 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde is O=CCc1cccn2c(C3CC3)nc(Br)c12.
What is the InChIKey of 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde?
The InChIKey is RXQFPLSCAWTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-10-8(5-7-16)2-1-6-15(10)12(14-11)9-3-4-9/h1-2,6-7,9H,3-5H2.
What are the key properties of 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde?
2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde has a molecular weight of 279.14 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-8-yl)acetaldehyde is sourced from PubChem (CID 83904625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).