3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde

C10H10BrN3O — CID 84743000

IUPAC3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESNCCc1nc(C=O)c2c(Br)cccn12
InChIInChI=1S/C10H10BrN3O/c11-7-2-1-5-14-9(3-4-12)13-8(6-15)10(7)14/h1-2,5-6H,3-4,12H2
InChIKeyKDYHKBPTADOUSY-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde

3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743000) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743000
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESNCCc1nc(C=O)c2c(Br)cccn12
InChIInChI=1S/C10H10BrN3O/c11-7-2-1-5-14-9(3-4-12)13-8(6-15)10(7)14/h1-2,5-6H,3-4,12H2
InChIKeyKDYHKBPTADOUSY-UHFFFAOYSA-N
XLogP1.41
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743573
8-bromo-3-cyclopropylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83844511
8-bromo-3-pyridin-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744127
3-(2-aminoethyl)-5-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743006
3-(3-aminopropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84760068
3-(2-aminoethyl)-1-bromo-N,N-dimethylimidazo[1,5-a]pyridin-8-amine
CID 84743558
methyl 3-(3-aminopropyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117255037
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
3-(3-aminopropyl)-1-bromoimidazo[1,5-a]pyridin-8-ol
CID 117255001
8-bromo-3-ethenylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 171531680
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743000) is 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde is NCCc1nc(C=O)c2c(Br)cccn12.
What is the InChIKey of 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is KDYHKBPTADOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-7-2-1-5-14-9(3-4-12)13-8(6-15)10(7)14/h1-2,5-6H,3-4,12H2.
What are the key properties of 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 268.11 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-8-bromoimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).