7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C12H8ClF3N2O2 — CID 91062250

IUPAC7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2ccc(C3(Cl)CC3)c(C(F)(F)F)c2n1
InChIInChI=1S/C12H8ClF3N2O2/c13-11(2-3-11)6-1-4-18-5-7(10(19)20)17-9(18)8(6)12(14,15)16/h1,4-5H,2-3H2,(H,19,20)
InChIKeyFYQIJIKTACPNLI-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.28
Rot. Bonds2

About 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 91062250) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID91062250
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2ccc(C3(Cl)CC3)c(C(F)(F)F)c2n1
InChIInChI=1S/C12H8ClF3N2O2/c13-11(2-3-11)6-1-4-18-5-7(10(19)20)17-9(18)8(6)12(14,15)16/h1,4-5H,2-3H2,(H,19,20)
InChIKeyFYQIJIKTACPNLI-UHFFFAOYSA-N
XLogP3.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 91062250) is 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2ccc(C3(Cl)CC3)c(C(F)(F)F)c2n1.
What is the InChIKey of 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is FYQIJIKTACPNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c13-11(2-3-11)6-1-4-18-5-7(10(19)20)17-9(18)8(6)12(14,15)16/h1,4-5H,2-3H2,(H,19,20).
What are the key properties of 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 304.66 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 91062250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).