methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate

C9H10F2N2O3 — CID 86728150

IUPACmethyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(OCC(F)F)nc1C
InChIInChI=1S/C9H10F2N2O3/c1-5-8(9(14)15-2)12-3-7(13-5)16-4-6(10)11/h3,6H,4H2,1-2H3
InChIKeyFKSOMTBCMTXRHH-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.22
Rot. Bonds4

About methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate

methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate (PubChem CID 86728150) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
PubChem CID86728150
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(OCC(F)F)nc1C
InChIInChI=1S/C9H10F2N2O3/c1-5-8(9(14)15-2)12-3-7(13-5)16-4-6(10)11/h3,6H,4H2,1-2H3
InChIKeyFKSOMTBCMTXRHH-UHFFFAOYSA-N
XLogP1.22
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate (CID 86728150) is methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate is COC(=O)c1ncc(OCC(F)F)nc1C.
What is the InChIKey of methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate?
The InChIKey is FKSOMTBCMTXRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-5-8(9(14)15-2)12-3-7(13-5)16-4-6(10)11/h3,6H,4H2,1-2H3.
What are the key properties of methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate?
methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate has a molecular weight of 232.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 86728150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).