2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C9H5F3N2O — CID 44820379

IUPAC2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-6(5-15)14-4-2-1-3-7(14)13-8/h1-5H
InChIKeyDSAAPMTUNPROQT-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.17
Rot. Bonds1

About 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 44820379) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID44820379
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)8-6(5-15)14-4-2-1-3-7(14)13-8/h1-5H
InChIKeyDSAAPMTUNPROQT-UHFFFAOYSA-N
XLogP2.17
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.17
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 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 44820379) is 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is DSAAPMTUNPROQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)8-6(5-15)14-4-2-1-3-7(14)13-8/h1-5H.
What are the key properties of 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 214.15 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 44820379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).