methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

C13H11FN2O5 — CID 163289182

IUPACmethyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2c(F)cccc2OC)c(=O)cc1O
InChIInChI=1S/C13H11FN2O5/c1-20-9-5-3-4-7(14)12(9)16-10(18)6-8(17)11(15-16)13(19)21-2/h3-6,17H,1-2H3
InChIKeyVWPWXLGVDDVUQW-UHFFFAOYSA-N
MW294.24 g/mol
LogP0.87
Rot. Bonds3

About methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate

methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (PubChem CID 163289182) has the molecular formula C13H11FN2O5 and a molecular weight of 294.24 g/mol. Its IUPAC name is methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
PubChem CID163289182
Molecular FormulaC13H11FN2O5
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Namemethyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2c(F)cccc2OC)c(=O)cc1O
InChIInChI=1S/C13H11FN2O5/c1-20-9-5-3-4-7(14)12(9)16-10(18)6-8(17)11(15-16)13(19)21-2/h3-6,17H,1-2H3
InChIKeyVWPWXLGVDDVUQW-UHFFFAOYSA-N
XLogP0.87
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(2-bromo-6-fluorophenyl)-4-chloro-6-oxopyridazine-3-carboxylate
CID 171781971
methyl 1-(2-fluoro-6-methylphenyl)-4-hydrazinyl-6-oxopyridazine-3-carboxylate
CID 163361015
3-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 108785229
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-phenylpyridazine-3-carboxamide
CID 108798482
N-(2-acetylphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798578
N-(4-acetamidophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785176
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453
N-[4-(diethylamino)butyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785323
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
ethyl 2-[[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carbonyl]amino]acetate
CID 108798587
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate (CID 163289182) is methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2c(F)cccc2OC)c(=O)cc1O.
What is the InChIKey of methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
The InChIKey is VWPWXLGVDDVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O5/c1-20-9-5-3-4-7(14)12(9)16-10(18)6-8(17)11(15-16)13(19)21-2/h3-6,17H,1-2H3.
What are the key properties of methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate?
methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate has a molecular weight of 294.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-6-methoxyphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 163289182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).