methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

C17H13FN2O4 — CID 71995616

IUPACmethyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C17H13FN2O4/c1-23-17(22)16-11(8-9-24-16)10-20-15(21)7-6-14(19-20)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3
InChIKeyJOVWRRAADJKDAO-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.48
Rot. Bonds4

About methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate (PubChem CID 71995616) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
PubChem CID71995616
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Namemethyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C17H13FN2O4/c1-23-17(22)16-11(8-9-24-16)10-20-15(21)7-6-14(19-20)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3
InChIKeyJOVWRRAADJKDAO-UHFFFAOYSA-N
XLogP2.48
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] furan-2-carboxylate
CID 3312261
2-(2-fluorobenzyl)-6-(furan-2-yl)pyridazin-3(2H)-one
CID 6471971
2-(4-fluorobenzyl)-6-(furan-2-yl)pyridazin-3(2H)-one
CID 7658268
1-[2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22577266
2-[(3-Fluorophenyl)methyl]-6-(furan-2-yl)pyridazin-3-one
CID 7658267
methyl 5-((3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)methyl)furan-2-carboxylate
CID 7664520
Methyl 3-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]furan-2-carboxylate
CID 18123386
[2-[3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] furan-2-carboxylate
CID 23964055
3-[(2,5-Difluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47058094
3-[(2-Fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126495
3-[(2,3-Difluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126526
3-[(3-Fluorophenyl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazol-2-one
CID 47126530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate (CID 71995616) is methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1Cn1nc(-c2ccccc2F)ccc1=O.
What is the InChIKey of methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is JOVWRRAADJKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-23-17(22)16-11(8-9-24-16)10-20-15(21)7-6-14(19-20)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3.
What are the key properties of methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 328.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 71995616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).