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

C8H9FN2O3 — CID 118273108

IUPACmethyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1OCCF
InChIInChI=1S/C8H9FN2O3/c1-13-8(12)6-7(14-5-2-9)11-4-3-10-6/h3-4H,2,5H2,1H3
InChIKeyOEPIHGCOSDCEFG-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.61
Rot. Bonds4

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

methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate (PubChem CID 118273108) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
PubChem CID118273108
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namemethyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1OCCF
InChIInChI=1S/C8H9FN2O3/c1-13-8(12)6-7(14-5-2-9)11-4-3-10-6/h3-4H,2,5H2,1H3
InChIKeyOEPIHGCOSDCEFG-UHFFFAOYSA-N
XLogP0.61
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
CID 141103984
methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
CID 141407596
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
methyl 3,5-bis(2-fluoroethoxy)benzoate
CID 86609559
methyl 3-pyridin-4-ylpyrazine-2-carboxylate
CID 163385858
3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
CID 62701891
4-hydroxy-1-(3-methoxypyrazin-2-yl)butan-1-one
CID 106677606
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate (CID 118273108) is methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate is COC(=O)c1nccnc1OCCF.
What is the InChIKey of methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate?
The InChIKey is OEPIHGCOSDCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-13-8(12)6-7(14-5-2-9)11-4-3-10-6/h3-4H,2,5H2,1H3.
What are the key properties of methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate?
methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate has a molecular weight of 200.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 118273108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).