1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

C12H8FN2O3- — CID 7130846

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18)/p-1
InChIKeyOWVLQYNNEXUSHO-UHFFFAOYSA-M
MW247.21 g/mol
LogP0.04
Rot. Bonds2

About 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 7130846) has the molecular formula C12H8FN2O3- and a molecular weight of 247.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
PubChem CID7130846
Molecular FormulaC12H8FN2O3-
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1F
InChIInChI=1S/C12H9FN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18)/p-1
InChIKeyOWVLQYNNEXUSHO-UHFFFAOYSA-M
XLogP0.04
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (CID 7130846) is 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is Cc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is OWVLQYNNEXUSHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9FN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18)/p-1.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 247.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 7130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).