ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate

C20H17FN2O4 — CID 7386803

IUPACethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1
InChIInChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-7-6-8-15(21)11-14)12-18(24)23(22-19)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3
InChIKeyBOPMAAIVPBYKCR-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate

ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 7386803) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID7386803
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Nameethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1
InChIInChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-7-6-8-15(21)11-14)12-18(24)23(22-19)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3
InChIKeyBOPMAAIVPBYKCR-UHFFFAOYSA-N
XLogP3.13
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-fluorobenzenecarboxylate
CID 1472463
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-fluorophenyl)methoxy]-6-oxopyridazine-3-carboxylate
CID 7386802
Ethyl 1-(4-fluorophenyl)-4-((2-methylbenzyl)oxy)-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7588624

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate (CID 7386803) is ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCc1cccc(F)c1.
What is the InChIKey of ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is BOPMAAIVPBYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-2-26-20(25)19-17(27-13-14-7-6-8-15(21)11-14)12-18(24)23(22-19)16-9-4-3-5-10-16/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate?
ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-fluorophenyl)methoxy]-6-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 7386803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).