1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

C12H9FN2O3 — CID 11715749

IUPAC1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1cccc(F)c1
InChIInChI=1S/C12H9FN2O3/c1-7-5-10(16)11(12(17)18)14-15(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H,17,18)
InChIKeyLZFSVNPIAVORRY-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.38
Rot. Bonds2

About 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid

1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 11715749) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID11715749
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1cccc(F)c1
InChIInChI=1S/C12H9FN2O3/c1-7-5-10(16)11(12(17)18)14-15(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H,17,18)
InChIKeyLZFSVNPIAVORRY-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 11715749) is 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is LZFSVNPIAVORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c1-7-5-10(16)11(12(17)18)14-15(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H,17,18).
What are the key properties of 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 11715749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).