8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

C10H6BrF3N2O — CID 171532151

IUPAC8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(Br)cccn2c1CC(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-6-2-1-3-16-8(4-10(12,13)14)7(5-17)15-9(6)16/h1-3,5H,4H2
InChIKeyFTOYKYLOTARDHV-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.01
Rot. Bonds2

About 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 171532151) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID171532151
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(Br)cccn2c1CC(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-6-2-1-3-16-8(4-10(12,13)14)7(5-17)15-9(6)16/h1-3,5H,4H2
InChIKeyFTOYKYLOTARDHV-UHFFFAOYSA-N
XLogP3.01
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.01
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 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde (CID 171532151) is 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde is O=Cc1nc2c(Br)cccn2c1CC(F)(F)F.
What is the InChIKey of 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is FTOYKYLOTARDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-6-2-1-3-16-8(4-10(12,13)14)7(5-17)15-9(6)16/h1-3,5H,4H2.
What are the key properties of 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 307.07 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 171532151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).