3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

C12H8ClF3N2O — CID 162601643

IUPAC3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-10-9(5-19)17-11-8(12(14,15)16)3-7(4-18(10)11)6-1-2-6/h3-6H,1-2H2
InChIKeyDMBUDWCXGGDSPH-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.70
Rot. Bonds2

About 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde

3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 162601643) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID162601643
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESO=Cc1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-10-9(5-19)17-11-8(12(14,15)16)3-7(4-18(10)11)6-1-2-6/h3-6H,1-2H2
InChIKeyDMBUDWCXGGDSPH-UHFFFAOYSA-N
XLogP3.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.70
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-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde (CID 162601643) is 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde is O=Cc1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is DMBUDWCXGGDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-10-9(5-19)17-11-8(12(14,15)16)3-7(4-18(10)11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde?
3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 288.66 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 162601643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).