ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate

C20H16F2N2O4 — CID 7386802

IUPACethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1F
InChIInChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-5-3-4-6-16(13)22)11-18(25)24(23-19)15-9-7-14(21)8-10-15/h3-11H,2,12H2,1H3
InChIKeyTVQQSYAMYULKLI-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.27
Rot. Bonds6

About ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate (PubChem CID 7386802) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
PubChem CID7386802
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Nameethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1F
InChIInChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-5-3-4-6-16(13)22)11-18(25)24(23-19)15-9-7-14(21)8-10-15/h3-11H,2,12H2,1H3
InChIKeyTVQQSYAMYULKLI-UHFFFAOYSA-N
XLogP3.27
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(2,4-difluorobenzyloxy)-2-phenylpyridazin-3(2H)-one
CID 46887068
(4-Fluorophenyl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 4005861
Ethyl 4-((2-chloro-6-fluorobenzyl)oxy)-6-oxo-1-(o-tolyl)-1,6-dihydropyridazine-3-carboxylate
CID 7588694
Ethyl 4-((2-chloro-6-fluorobenzyl)oxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
CID 7588696
Ethyl 1-(4-fluorophenyl)-6-oxo-4-((3-(trifluoromethyl)benzyl)oxy)-1,6-dihydropyridazine-3-carboxylate
CID 16800046
6-(benzyloxy)-2-phenylpyridazin-3(2H)-one
CID 751723
Ethyl 4-((4-bromobenzyl)oxy)-6-oxo-1-(p-tolyl)-1,6-dihydropyridazine-3-carboxylate
CID 16832661
Ethyl 1-(3-bromophenyl)-4-((2-methylbenzyl)oxy)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 18579851
Methyl 6-oxo-4-phenoxy-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxylate
CID 3772211
Ethyl 1-(4-fluorophenyl)-4-((2-methylbenzyl)oxy)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7588624
Ethyl 4-[(2-chlorophenyl)methoxy]-1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7588685
Ethyl 4-((2-chloro-6-fluorobenzyl)oxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
CID 7588693

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate (CID 7386802) is ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1ccccc1F.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
The InChIKey is TVQQSYAMYULKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-2-27-20(26)19-17(28-12-13-5-3-4-6-16(13)22)11-18(25)24(23-19)15-9-7-14(21)8-10-15/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate has a molecular weight of 386.35 g/mol, XLogP of 3.27, 6 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-[(2-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 7386802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).