6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C10H10BrN3O — CID 84743003

IUPAC6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCNCc1nc(C=O)c2ccc(Br)cn12
InChIInChI=1S/C10H10BrN3O/c1-12-4-10-13-8(6-15)9-3-2-7(11)5-14(9)10/h2-3,5-6,12H,4H2,1H3
InChIKeyCZZHZZZKFDIPLL-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.63
Rot. Bonds3

About 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde

6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743003) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743003
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCNCc1nc(C=O)c2ccc(Br)cn12
InChIInChI=1S/C10H10BrN3O/c1-12-4-10-13-8(6-15)9-3-2-7(11)5-14(9)10/h2-3,5-6,12H,4H2,1H3
InChIKeyCZZHZZZKFDIPLL-UHFFFAOYSA-N
XLogP1.63
TPSA46.40 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 ≤ 51.63
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

7-methyl-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84739779
3,6-diethylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 112552199
6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743817
1-(6-bromo-3-methylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
CID 83867420
3-(aminomethyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740202
6-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745099
1-(1-bromo-6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylmethanamine
CID 84743105
6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84740931
6-bromo-2-propylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405133
3-(3-bromophenyl)-6-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745250
3-(4-bromophenyl)-7-(dimethylamino)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745253
2-(1,6-dibromoimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 84744625

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743003) is 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is CNCc1nc(C=O)c2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is CZZHZZZKFDIPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-12-4-10-13-8(6-15)9-3-2-7(11)5-14(9)10/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 268.11 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).