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

C14H13FN2O4 — CID 7588667

IUPACethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C14H13FN2O4/c1-3-21-14(19)13-11(20-2)8-12(18)17(16-13)10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3
InChIKeyJIRWYJTXBVXXHQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.56
Rot. Bonds4

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

ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate (PubChem CID 7588667) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
PubChem CID7588667
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Nameethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C14H13FN2O4/c1-3-21-14(19)13-11(20-2)8-12(18)17(16-13)10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3
InChIKeyJIRWYJTXBVXXHQ-UHFFFAOYSA-N
XLogP1.56
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate (CID 7588667) is ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate?
The InChIKey is JIRWYJTXBVXXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-3-21-14(19)13-11(20-2)8-12(18)17(16-13)10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 7588667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).