methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate

C12H9FN2O3 — CID 141407596

IUPACmethyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Oc1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-17-12(16)10-11(15-7-6-14-10)18-9-5-3-2-4-8(9)13/h2-7H,1H3
InChIKeyCZOUXILQHUJGRM-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.19
Rot. Bonds3

About methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate

methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate (PubChem CID 141407596) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
PubChem CID141407596
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Namemethyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1Oc1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-17-12(16)10-11(15-7-6-14-10)18-9-5-3-2-4-8(9)13/h2-7H,1H3
InChIKeyCZOUXILQHUJGRM-UHFFFAOYSA-N
XLogP2.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 114213821
[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
CID 118273108
methyl 3-(4-bromo-2,6-difluorophenoxy)pyridine-2-carboxylate
CID 90284883
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342
methyl 3-[(4-fluorophenyl)methylideneamino]pyrazine-2-carboxylate
CID 90010921
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
2-(2-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 112572880
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate (CID 141407596) is methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate is COC(=O)c1nccnc1Oc1ccccc1F.
What is the InChIKey of methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate?
The InChIKey is CZOUXILQHUJGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-17-12(16)10-11(15-7-6-14-10)18-9-5-3-2-4-8(9)13/h2-7H,1H3.
What are the key properties of methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate?
methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate has a molecular weight of 248.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 141407596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).