methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate

C13H9F3N2O3 — CID 167450862

IUPACmethyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F3N2O3/c1-20-12(19)11-7-17-6-10(18-11)8-2-4-9(5-3-8)21-13(14,15)16/h2-7H,1H3
InChIKeyVDEYNYJYNDJYEL-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.83
Rot. Bonds3

About methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate

methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate (PubChem CID 167450862) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
PubChem CID167450862
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Namemethyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F3N2O3/c1-20-12(19)11-7-17-6-10(18-11)8-2-4-9(5-3-8)21-13(14,15)16/h2-7H,1H3
InChIKeyVDEYNYJYNDJYEL-UHFFFAOYSA-N
XLogP2.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 146347015
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 52945969
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate (CID 167450862) is methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate is COC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The InChIKey is VDEYNYJYNDJYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-20-12(19)11-7-17-6-10(18-11)8-2-4-9(5-3-8)21-13(14,15)16/h2-7H,1H3.
What are the key properties of methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate has a molecular weight of 298.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 167450862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).