ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

C13H11FN2O4 — CID 54699288

IUPACethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C13H11FN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-8(14)4-6-9/h3-7,17H,2H2,1H3
InChIKeyZUYNPOMQPVLCSK-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.25
Rot. Bonds3

About ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (PubChem CID 54699288) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
PubChem CID54699288
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Nameethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O
InChIInChI=1S/C13H11FN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-8(14)4-6-9/h3-7,17H,2H2,1H3
InChIKeyZUYNPOMQPVLCSK-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (CID 54699288) is ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1O.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The InChIKey is ZUYNPOMQPVLCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-2-20-13(19)12-10(17)7-11(18)16(15-12)9-5-3-8(14)4-6-9/h3-7,17H,2H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate has a molecular weight of 278.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 54699288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).