methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate

C12H9FN2O3 — CID 122590621

IUPACmethyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cn[nH]c(=O)c2)cc1F
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)9-3-2-7(4-10(9)13)8-5-11(16)15-14-6-8/h2-6H,1H3,(H,15,16)
InChIKeyOIYRUADUZIJNFH-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate

methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate (PubChem CID 122590621) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
PubChem CID122590621
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Namemethyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cn[nH]c(=O)c2)cc1F
InChIInChI=1S/C12H9FN2O3/c1-18-12(17)9-3-2-7(4-10(9)13)8-5-11(16)15-14-6-8/h2-6H,1H3,(H,15,16)
InChIKeyOIYRUADUZIJNFH-UHFFFAOYSA-N
XLogP1.36
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
methyl 2-fluoro-4-(2-methylpyrazol-3-yl)benzoate
CID 135274935
methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate (CID 122590621) is methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate is COC(=O)c1ccc(-c2cn[nH]c(=O)c2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate?
The InChIKey is OIYRUADUZIJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-18-12(17)9-3-2-7(4-10(9)13)8-5-11(16)15-14-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate?
methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate has a molecular weight of 248.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate is sourced from PubChem (CID 122590621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).