methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate

C14H11F3N2O3 — CID 146347015

IUPACmethyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC(F)(F)F)c(C)c2)n1
InChIInChI=1S/C14H11F3N2O3/c1-8-5-9(3-4-12(8)22-14(15,16)17)10-6-18-7-11(19-10)13(20)21-2/h3-7H,1-2H3
InChIKeyYGZVYZRWZZWXIB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.14
Rot. Bonds3

About methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate

methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate (PubChem CID 146347015) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
PubChem CID146347015
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc(OC(F)(F)F)c(C)c2)n1
InChIInChI=1S/C14H11F3N2O3/c1-8-5-9(3-4-12(8)22-14(15,16)17)10-6-18-7-11(19-10)13(20)21-2/h3-7H,1-2H3
InChIKeyYGZVYZRWZZWXIB-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 52945969
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
methyl 6-[4-[(3S)-3-acetamidopyrrolidin-1-yl]-3-methylphenyl]pyrazine-2-carboxylate
CID 146375024
ethane;methyl 6-[4-[[1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidin-3-yl]methoxy]-3-methylphenyl]pyrazine-2-carboxylate
CID 153401165
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
CID 39401121
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
CID 167450736
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
CID 144796299
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate (CID 146347015) is methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate is COC(=O)c1cncc(-c2ccc(OC(F)(F)F)c(C)c2)n1.
What is the InChIKey of methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
The InChIKey is YGZVYZRWZZWXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-8-5-9(3-4-12(8)22-14(15,16)17)10-6-18-7-11(19-10)13(20)21-2/h3-7H,1-2H3.
What are the key properties of methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate?
methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate has a molecular weight of 312.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 146347015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).