[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C14H10F2N2O3 — CID 7950006

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H10F2N2O3/c1-8-5-18-12(6-17-8)14(20)21-7-13(19)9-2-3-10(15)11(16)4-9/h2-6H,7H2,1H3
InChIKeyAMOQOONCLFAFEN-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.10
Rot. Bonds4

About [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950006) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7950006
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C14H10F2N2O3/c1-8-5-18-12(6-17-8)14(20)21-7-13(19)9-2-3-10(15)11(16)4-9/h2-6H,7H2,1H3
InChIKeyAMOQOONCLFAFEN-UHFFFAOYSA-N
XLogP2.10
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7950006) is [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2ccc(F)c(F)c2)cn1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is AMOQOONCLFAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-5-18-12(6-17-8)14(20)21-7-13(19)9-2-3-10(15)11(16)4-9/h2-6H,7H2,1H3.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 292.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).