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

C12H8ClF3N2O2 — CID 67084900

IUPAC3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C12H8ClF3N2O2/c13-9-8(11(19)20)17-10-7(12(14,15)16)3-6(4-18(9)10)5-1-2-5/h3-5H,1-2H2,(H,19,20)
InChIKeyFKEVNJQDSOGUPP-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.58
Rot. Bonds2

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

3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 67084900) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID67084900
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C12H8ClF3N2O2/c13-9-8(11(19)20)17-10-7(12(14,15)16)3-6(4-18(9)10)5-1-2-5/h3-5H,1-2H2,(H,19,20)
InChIKeyFKEVNJQDSOGUPP-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2360195
3-[1-[3-Chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-piperidyl]oxazolidin-2-one
CID 46870267
Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
CID 89055
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 27282729
8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 3928817
6-Chloroimidazo(1,2-a)pyridine-2-carboxylic acid
CID 2757614
7-Methylimidazo(1,2-a)pyridine-2-carboxylic acid
CID 1072555
6-Methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55268193
6-(Pyridin-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 44124941
3-Fluoroimidazo[1,2-a]pyridine-2-carboxylic acid hydrochloride
CID 53444491
6,8-Dichloroimidazo(1,2-a)pyridine-2-carboxylic acid
CID 4683562
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 51072031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 67084900) is 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is FKEVNJQDSOGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c13-9-8(11(19)20)17-10-7(12(14,15)16)3-6(4-18(9)10)5-1-2-5/h3-5H,1-2H2,(H,19,20).
What are the key properties of 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 304.66 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 67084900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).