methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate

C12H9FN2O2 — CID 167450752

IUPACmethyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccccc2F)n1
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)11-7-14-6-10(15-11)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeyQPEBYPBGEHJDDI-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.07
Rot. Bonds2

About methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate

methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate (PubChem CID 167450752) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
PubChem CID167450752
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namemethyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2ccccc2F)n1
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)11-7-14-6-10(15-11)8-4-2-3-5-9(8)13/h2-7H,1H3
InChIKeyQPEBYPBGEHJDDI-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 2-(6-chloropyrazin-2-yl)benzoate
CID 162718783
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916146
2-tert-butyl-6-(2-fluorophenyl)pyrazine
CID 135179551
methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
CID 167450564
ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
CID 167450563
methyl 6-bromopyrazine-2-carboxylate
CID 52988070

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate (CID 167450752) is methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate is COC(=O)c1cncc(-c2ccccc2F)n1.
What is the InChIKey of methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate?
The InChIKey is QPEBYPBGEHJDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)11-7-14-6-10(15-11)8-4-2-3-5-9(8)13/h2-7H,1H3.
What are the key properties of methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate?
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate has a molecular weight of 232.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 167450752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).