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

C9H4BrF3N2O — CID 84743817

IUPAC6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)n2cc(Br)ccc12
InChIInChI=1S/C9H4BrF3N2O/c10-5-1-2-7-6(4-16)14-8(9(11,12)13)15(7)3-5/h1-4H
InChIKeyVMVSHFXMILRHMB-UHFFFAOYSA-N
MW293.04 g/mol
LogP2.93
Rot. Bonds1

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

6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743817) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743817
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)n2cc(Br)ccc12
InChIInChI=1S/C9H4BrF3N2O/c10-5-1-2-7-6(4-16)14-8(9(11,12)13)15(7)3-5/h1-4H
InChIKeyVMVSHFXMILRHMB-UHFFFAOYSA-N
XLogP2.93
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(methylaminomethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743003
5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743818
6-bromo-3-(3-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84745099
1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 84745462
3-bromo-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118704033
6-bromo-3-tert-butyl-1-methylimidazo[1,5-a]pyridine
CID 83844637
1,7-dibromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 84745242
6-bromo-2-propylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405133
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
5-bromo-3-tert-butylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743489
6-bromo-2-iodo-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 178182402
6-chloro-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-amine
CID 83869461

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743817) is 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C(F)(F)F)n2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is VMVSHFXMILRHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-5-1-2-7-6(4-16)14-8(9(11,12)13)15(7)3-5/h1-4H.
What are the key properties of 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 293.04 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).