phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate

C17H10F4N2O3 — CID 8765257

IUPACphenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(Oc1ccccc1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C17H10F4N2O3/c18-10-8-11(19)15(21)16(14(10)20)23-13(24)7-6-12(22-23)17(25)26-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyAVHVMTBNBDWNLJ-UHFFFAOYSA-N
MW366.27 g/mol
LogP3.33
Rot. Bonds3

About phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate

phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate (PubChem CID 8765257) has the molecular formula C17H10F4N2O3 and a molecular weight of 366.27 g/mol. Its IUPAC name is phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Namephenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
PubChem CID8765257
Molecular FormulaC17H10F4N2O3
Molecular Weight366.27 g/mol
Exact Mass366.06
IUPAC Namephenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
SMILESO=C(Oc1ccccc1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1
InChIInChI=1S/C17H10F4N2O3/c18-10-8-11(19)15(21)16(14(10)20)23-13(24)7-6-12(22-23)17(25)26-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyAVHVMTBNBDWNLJ-UHFFFAOYSA-N
XLogP3.33
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

cyanomethyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
CID 7971203
N-(2-chlorophenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 9411179
(3-acetylphenyl) 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18076844
[2-(methylcarbamoylamino)-2-oxoethyl] 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate
CID 7971138
(4-propoxyphenyl) 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7747669
N-(4-methylsulfanylphenyl)-6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 9179539
[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18076859
methyl (2R)-3-hydroxy-2-[[6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carbonyl]amino]propanoate
CID 9277785
1-(3-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 54978174
[2-oxo-2-(4-phenoxyanilino)ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 5176925
[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 75404080
pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 9465512

Frequently Asked Questions

What is the IUPAC name of phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate (CID 8765257) is phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate is O=C(Oc1ccccc1)C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1.
What is the InChIKey of phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is AVHVMTBNBDWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3/c18-10-8-11(19)15(21)16(14(10)20)23-13(24)7-6-12(22-23)17(25)26-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate?
phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 366.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-oxo-1-(2,3,5,6-tetrafluorophenyl)-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 8765257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).