methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate

C10H7F3N2O3 — CID 76849593

IUPACmethyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(OC(F)(F)F)cn12
InChIInChI=1S/C10H7F3N2O3/c1-17-9(16)7-4-14-8-3-2-6(5-15(7)8)18-10(11,12)13/h2-5H,1H3
InChIKeyJWZAKPRVFWHPDZ-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.02
Rot. Bonds2

About methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate

methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 76849593) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID76849593
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Namemethyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(OC(F)(F)F)cn12
InChIInChI=1S/C10H7F3N2O3/c1-17-9(16)7-4-14-8-3-2-6(5-15(7)8)18-10(11,12)13/h2-5H,1H3
InChIKeyJWZAKPRVFWHPDZ-UHFFFAOYSA-N
XLogP2.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605
methyl 3-methyl-2-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxylate
CID 44818306
methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 66849944
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 12988951
6-fluoroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162420999
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256294
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
6-ethoxycarbonylpyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 146160536
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142820
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369

Frequently Asked Questions

What is the IUPAC name of methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate (CID 76849593) is methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1cnc2ccc(OC(F)(F)F)cn12.
What is the InChIKey of methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is JWZAKPRVFWHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c1-17-9(16)7-4-14-8-3-2-6(5-15(7)8)18-10(11,12)13/h2-5H,1H3.
What are the key properties of methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate?
methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 260.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 76849593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).