[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C14H11FN2O3 — CID 7950188

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyUBJGOQIVSXPRRO-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.96
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950188) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7950188
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyUBJGOQIVSXPRRO-UHFFFAOYSA-N
XLogP1.96
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7950188) is [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is UBJGOQIVSXPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 274.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).