methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C13H12ClF3N2O2 — CID 67084858

IUPACmethyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C(C)C)cn2c1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-6(2)7-4-8(13(15,16)17)11-18-9(12(20)21-3)10(14)19(11)5-7/h4-6H,1-3H3
InChIKeyRCRXHRFGKZASQK-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.92
Rot. Bonds2

About methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67084858) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID67084858
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Namemethyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C(C)C)cn2c1Cl
InChIInChI=1S/C13H12ClF3N2O2/c1-6(2)7-4-8(13(15,16)17)11-18-9(12(20)21-3)10(14)19(11)5-7/h4-6H,1-3H3
InChIKeyRCRXHRFGKZASQK-UHFFFAOYSA-N
XLogP3.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 717824
Ethyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 821015
Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 860187
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Ethyl 2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2764795
3-(1-{[3-Chloro-6-(1-methylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidin-2-one
CID 46870265
3-[1-[3-Chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-4-piperidyl]oxazolidin-2-one
CID 46870267
Ethyl 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 682232
3-[1-[3-Chloro-6-(1,2-ditritiopropan-2-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 71455163
Methyl 3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 715544
Ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 2736417
US11744824, Example 135
CID 162759504

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 67084858) is methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2c(C(F)(F)F)cc(C(C)C)cn2c1Cl.
What is the InChIKey of methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RCRXHRFGKZASQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-6(2)7-4-8(13(15,16)17)11-18-9(12(20)21-3)10(14)19(11)5-7/h4-6H,1-3H3.
What are the key properties of methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 320.70 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-propan-2-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67084858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).