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

C15H9F3N2O — CID 117141165

IUPAC3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-4-1-3-10(7-11)14-19-8-12-5-2-6-13(9-21)20(12)14/h1-9H
InChIKeyRIUQGDGSFBYEHR-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.83
Rot. Bonds2

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

3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117141165) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117141165
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(-c3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-4-1-3-10(7-11)14-19-8-12-5-2-6-13(9-21)20(12)14/h1-9H
InChIKeyRIUQGDGSFBYEHR-UHFFFAOYSA-N
XLogP3.83
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.83
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 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117141165) is 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2cnc(-c3cccc(C(F)(F)F)c3)n12.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is RIUQGDGSFBYEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)11-4-1-3-10(7-11)14-19-8-12-5-2-6-13(9-21)20(12)14/h1-9H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde?
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 290.24 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).