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

C13H10ClF3N2O2 — CID 67084869

IUPACmethyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c1-21-12(20)9-10(14)19-5-7(6-2-3-6)4-8(11(19)18-9)13(15,16)17/h4-6H,2-3H2,1H3
InChIKeyKKPOIKYSRJRFPD-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.67
Rot. Bonds2

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

methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67084869) has the molecular formula C13H10ClF3N2O2 and a molecular weight of 318.68 g/mol. Its IUPAC name is methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID67084869
Molecular FormulaC13H10ClF3N2O2
Molecular Weight318.68 g/mol
Exact Mass318.04
IUPAC Namemethyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl
InChIInChI=1S/C13H10ClF3N2O2/c1-21-12(20)9-10(14)19-5-7(6-2-3-6)4-8(11(19)18-9)13(15,16)17/h4-6H,2-3H2,1H3
InChIKeyKKPOIKYSRJRFPD-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 67084869) is methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is COC(=O)c1nc2c(C(F)(F)F)cc(C3CC3)cn2c1Cl.
What is the InChIKey of methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is KKPOIKYSRJRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2/c1-21-12(20)9-10(14)19-5-7(6-2-3-6)4-8(11(19)18-9)13(15,16)17/h4-6H,2-3H2,1H3.
What are the key properties of methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
methyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 318.68 g/mol, XLogP of 3.67, 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-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67084869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).