methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate

C13H9F3N2O3 — CID 66457666

IUPACmethyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N2O3/c1-20-12(19)9-6-17-7-11(18-9)21-10-5-3-2-4-8(10)13(14,15)16/h2-7H,1H3
InChIKeyXLCCJTCHPWFXKM-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.07
Rot. Bonds3

About methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate

methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate (PubChem CID 66457666) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
PubChem CID66457666
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Namemethyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H9F3N2O3/c1-20-12(19)9-6-17-7-11(18-9)21-10-5-3-2-4-8(10)13(14,15)16/h2-7H,1H3
InChIKeyXLCCJTCHPWFXKM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 6-(4,4,4-trifluorobutoxy)pyrazine-2-carboxylate
CID 82787869
methyl 6-(2-chloro-5-nitrophenoxy)pyrazine-2-carboxylate
CID 66457111
methyl 6-(4-chloro-2-nitrophenoxy)pyrazine-2-carboxylate
CID 66457481
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate (CID 66457666) is methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
The InChIKey is XLCCJTCHPWFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-20-12(19)9-6-17-7-11(18-9)21-10-5-3-2-4-8(10)13(14,15)16/h2-7H,1H3.
What are the key properties of methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate?
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate has a molecular weight of 298.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 66457666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).