5-fluoro-2,4-dimethylpyridazin-3-one

C6H7FN2O — CID 149220971

IUPAC5-fluoro-2,4-dimethylpyridazin-3-one
SMILESCc1c(F)cnn(C)c1=O
InChIInChI=1S/C6H7FN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyXILGRCYRHKETAR-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.23
Rot. Bonds

About 5-fluoro-2,4-dimethylpyridazin-3-one

5-fluoro-2,4-dimethylpyridazin-3-one (PubChem CID 149220971) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-fluoro-2,4-dimethylpyridazin-3-one
PubChem CID149220971
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name5-fluoro-2,4-dimethylpyridazin-3-one
SMILESCc1c(F)cnn(C)c1=O
InChIInChI=1S/C6H7FN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3
InChIKeyXILGRCYRHKETAR-UHFFFAOYSA-N
XLogP0.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethylpyridazin-3-one?
The IUPAC name of 5-fluoro-2,4-dimethylpyridazin-3-one (CID 149220971) is 5-fluoro-2,4-dimethylpyridazin-3-one.
What is the SMILES notation for 5-fluoro-2,4-dimethylpyridazin-3-one?
The canonical SMILES for 5-fluoro-2,4-dimethylpyridazin-3-one is Cc1c(F)cnn(C)c1=O.
What is the InChIKey of 5-fluoro-2,4-dimethylpyridazin-3-one?
The InChIKey is XILGRCYRHKETAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4-5(7)3-8-9(2)6(4)10/h3H,1-2H3.
What are the key properties of 5-fluoro-2,4-dimethylpyridazin-3-one?
5-fluoro-2,4-dimethylpyridazin-3-one has a molecular weight of 142.13 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethylpyridazin-3-one is sourced from PubChem (CID 149220971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).