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

C15H15FN2O4 — CID 7386786

IUPACethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC
InChIInChI=1S/C15H15FN2O4/c1-3-21-12-9-13(19)18(11-7-5-10(16)6-8-11)17-14(12)15(20)22-4-2/h5-9H,3-4H2,1-2H3
InChIKeyLGNMIBKVIVRULN-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.95
Rot. Bonds5

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

ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate (PubChem CID 7386786) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
PubChem CID7386786
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Nameethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC
InChIInChI=1S/C15H15FN2O4/c1-3-21-12-9-13(19)18(11-7-5-10(16)6-8-11)17-14(12)15(20)22-4-2/h5-9H,3-4H2,1-2H3
InChIKeyLGNMIBKVIVRULN-UHFFFAOYSA-N
XLogP1.95
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate (CID 7386786) is ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC.
What is the InChIKey of ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is LGNMIBKVIVRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-3-21-12-9-13(19)18(11-7-5-10(16)6-8-11)17-14(12)15(20)22-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate?
ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 306.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 7386786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).