2-(3-fluoro-4-methylphenyl)pyridazin-3-one

C11H9FN2O — CID 123492304

IUPAC2-(3-fluoro-4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncccc2=O)cc1F
InChIInChI=1S/C11H9FN2O/c1-8-4-5-9(7-10(8)12)14-11(15)3-2-6-13-14/h2-7H,1H3
InChIKeyRYKGITDEROGBCT-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.68
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)pyridazin-3-one

2-(3-fluoro-4-methylphenyl)pyridazin-3-one (PubChem CID 123492304) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)pyridazin-3-one
PubChem CID123492304
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(3-fluoro-4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2ncccc2=O)cc1F
InChIInChI=1S/C11H9FN2O/c1-8-4-5-9(7-10(8)12)14-11(15)3-2-6-13-14/h2-7H,1H3
InChIKeyRYKGITDEROGBCT-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)pyridazin-3-one (CID 123492304) is 2-(3-fluoro-4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)pyridazin-3-one is Cc1ccc(-n2ncccc2=O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)pyridazin-3-one?
The InChIKey is RYKGITDEROGBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-4-5-9(7-10(8)12)14-11(15)3-2-6-13-14/h2-7H,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)pyridazin-3-one?
2-(3-fluoro-4-methylphenyl)pyridazin-3-one has a molecular weight of 204.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 123492304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).