3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C11H4ClF3N4O3 — CID 68746820

IUPAC3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3ncon3)cn2c1Cl
InChIInChI=1S/C11H4ClF3N4O3/c12-7-6(10(20)21)17-9-5(11(13,14)15)1-4(2-19(7)9)8-16-3-22-18-8/h1-3H,(H,20,21)
InChIKeyYPCRRZKSPJLWLJ-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.75
Rot. Bonds2

About 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 68746820) has the molecular formula C11H4ClF3N4O3 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID68746820
Molecular FormulaC11H4ClF3N4O3
Molecular Weight332.63 g/mol
Exact Mass331.99
IUPAC Name3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(-c3ncon3)cn2c1Cl
InChIInChI=1S/C11H4ClF3N4O3/c12-7-6(10(20)21)17-9-5(11(13,14)15)1-4(2-19(7)9)8-16-3-22-18-8/h1-3H,(H,20,21)
InChIKeyYPCRRZKSPJLWLJ-UHFFFAOYSA-N
XLogP2.75
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 68746820) is 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(-c3ncon3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is YPCRRZKSPJLWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N4O3/c12-7-6(10(20)21)17-9-5(11(13,14)15)1-4(2-19(7)9)8-16-3-22-18-8/h1-3H,(H,20,21).
What are the key properties of 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 332.63 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,2,4-oxadiazol-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).