methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate

C13H11FN2O4 — CID 59436197

IUPACmethyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2F)cc(OC)c1=O
InChIInChI=1S/C13H11FN2O4/c1-19-10-7-16(9-6-4-3-5-8(9)14)15-11(12(10)17)13(18)20-2/h3-7H,1-2H3
InChIKeyGVYGGYRFAWZJEN-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.17
Rot. Bonds3

About methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate

methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate (PubChem CID 59436197) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate
PubChem CID59436197
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Namemethyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2F)cc(OC)c1=O
InChIInChI=1S/C13H11FN2O4/c1-19-10-7-16(9-6-4-3-5-8(9)14)15-11(12(10)17)13(18)20-2/h3-7H,1-2H3
InChIKeyGVYGGYRFAWZJEN-UHFFFAOYSA-N
XLogP1.17
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate (CID 59436197) is methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate is COC(=O)c1nn(-c2ccccc2F)cc(OC)c1=O.
What is the InChIKey of methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate?
The InChIKey is GVYGGYRFAWZJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-19-10-7-16(9-6-4-3-5-8(9)14)15-11(12(10)17)13(18)20-2/h3-7H,1-2H3.
What are the key properties of methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate?
methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate has a molecular weight of 278.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorophenyl)-5-methoxy-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 59436197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).