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

C14H11F3N2O3 — CID 167450835

IUPACmethyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC)cc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O3/c1-21-8-3-4-9(10(5-8)14(15,16)17)11-6-18-7-12(19-11)13(20)22-2/h3-7H,1-2H3
InChIKeyOTYBYXGHHOVFRU-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.96
Rot. Bonds3

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

methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate (PubChem CID 167450835) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
PubChem CID167450835
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC)cc2C(F)(F)F)n1
InChIInChI=1S/C14H11F3N2O3/c1-21-8-3-4-9(10(5-8)14(15,16)17)11-6-18-7-12(19-11)13(20)22-2/h3-7H,1-2H3
InChIKeyOTYBYXGHHOVFRU-UHFFFAOYSA-N
XLogP2.96
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
CID 167450736
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
CID 167450564
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 174239640
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 146347015
ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
CID 167450563
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-[2-fluoro-3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 150262040
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate (CID 167450835) is methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate is COC(=O)c1cncc(-c2ccc(OC)cc2C(F)(F)F)n1.
What is the InChIKey of methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate?
The InChIKey is OTYBYXGHHOVFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-21-8-3-4-9(10(5-8)14(15,16)17)11-6-18-7-12(19-11)13(20)22-2/h3-7H,1-2H3.
What are the key properties of methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate?
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate has a molecular weight of 312.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 167450835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).