[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate

C13H10FN3O3 — CID 7985770

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyCLXJRWBIWRRNIF-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.41
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985770) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985770
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)
InChIKeyCLXJRWBIWRRNIF-UHFFFAOYSA-N
XLogP1.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2715388
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196545
[2-(4-bromo-3-methylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2433474
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702201
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985432
[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
CID 23972998
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2428739

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate (CID 7985770) is [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is CLXJRWBIWRRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 275.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).