ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate

C16H16ClFN2O4 — CID 59875313

IUPACethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
SMILESCCOC(=O)COc1cc(-n2ncc(C)c(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O4/c1-4-23-15(21)8-24-14-6-13(12(18)5-11(14)17)20-16(22)10(3)9(2)7-19-20/h5-7H,4,8H2,1-3H3
InChIKeyPFNPCKUURKVXTH-UHFFFAOYSA-N
MW354.77 g/mol
LogP2.58
Rot. Bonds5

About ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate

ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate (PubChem CID 59875313) has the molecular formula C16H16ClFN2O4 and a molecular weight of 354.77 g/mol. Its IUPAC name is ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
PubChem CID59875313
Molecular FormulaC16H16ClFN2O4
Molecular Weight354.77 g/mol
Exact Mass354.08
IUPAC Nameethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
SMILESCCOC(=O)COc1cc(-n2ncc(C)c(C)c2=O)c(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O4/c1-4-23-15(21)8-24-14-6-13(12(18)5-11(14)17)20-16(22)10(3)9(2)7-19-20/h5-7H,4,8H2,1-3H3
InChIKeyPFNPCKUURKVXTH-UHFFFAOYSA-N
XLogP2.58
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[4-fluoro-2-methyl-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetate
CID 154029882
diethylamino 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetate
CID 22003549
ethyl 2-[2-chloro-4-fluoro-5-(4-oxo-1,2,3-benzotriazin-3-yl)phenoxy]acetate
CID 139226417
2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22898321
2-(5-amino-4-chloro-2-fluorophenyl)-4,5-dimethylpyridazin-3-one;2-(4-chloro-2-fluoro-5-methylphenyl)-4,5-dimethylpyridazin-3-one
CID 158408147
methyl 2-[2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]phenoxy]acetate
CID 139895626
2-[4-chloro-5-(2-chloroprop-2-enoxy)-2-fluorophenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one;2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 160842098
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544
2-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 18689486
2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetaldehyde
CID 18689487
2-(7-chloro-5-fluoro-2,2-dimethyl-3H-1-benzofuran-4-yl)-4,5-dimethylpyridazin-3-one;2-[4-chloro-6-fluoro-3-hydroxy-2-(2-methylprop-2-enyl)phenyl]-4,5-dimethylpyridazin-3-one;2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-4,5-dimethylpyridazin-3-one
CID 161134478
ethyl 2-[[3-[2-chloro-5-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 149136269

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate?
The IUPAC name of ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate (CID 59875313) is ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate?
The canonical SMILES for ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate is CCOC(=O)COc1cc(-n2ncc(C)c(C)c2=O)c(F)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate?
The InChIKey is PFNPCKUURKVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4/c1-4-23-15(21)8-24-14-6-13(12(18)5-11(14)17)20-16(22)10(3)9(2)7-19-20/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate?
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate has a molecular weight of 354.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate is sourced from PubChem (CID 59875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).