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

C9H4BrF3N2O — CID 84743818

IUPAC5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)n2c(Br)cccc12
InChIInChI=1S/C9H4BrF3N2O/c10-7-3-1-2-6-5(4-16)14-8(15(6)7)9(11,12)13/h1-4H
InChIKeyUPVCKUHZIWQXIU-UHFFFAOYSA-N
MW293.04 g/mol
LogP2.93
Rot. Bonds1

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

5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743818) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743818
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)n2c(Br)cccc12
InChIInChI=1S/C9H4BrF3N2O/c10-7-3-1-2-6-5(4-16)14-8(15(6)7)9(11,12)13/h1-4H
InChIKeyUPVCKUHZIWQXIU-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': '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-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743818) is 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C(F)(F)F)n2c(Br)cccc12.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is UPVCKUHZIWQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-7-3-1-2-6-5(4-16)14-8(15(6)7)9(11,12)13/h1-4H.
What are the key properties of 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
5-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 5-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).