2-(fluoromethyl)-6-methylpyridazin-3-one

C6H7FN2O — CID 122579452

IUPAC2-(fluoromethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CF)n1
InChIInChI=1S/C6H7FN2O/c1-5-2-3-6(10)9(4-7)8-5/h2-3H,4H2,1H3
InChIKeyLDPAUGWXLJXGMV-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.48
Rot. Bonds1

About 2-(fluoromethyl)-6-methylpyridazin-3-one

2-(fluoromethyl)-6-methylpyridazin-3-one (PubChem CID 122579452) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(fluoromethyl)-6-methylpyridazin-3-one
PubChem CID122579452
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-(fluoromethyl)-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CF)n1
InChIInChI=1S/C6H7FN2O/c1-5-2-3-6(10)9(4-7)8-5/h2-3H,4H2,1H3
InChIKeyLDPAUGWXLJXGMV-UHFFFAOYSA-N
XLogP0.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(fluoromethyl)-6-methylpyridazin-3-one (CID 122579452) is 2-(fluoromethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(fluoromethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(fluoromethyl)-6-methylpyridazin-3-one is Cc1ccc(=O)n(CF)n1.
What is the InChIKey of 2-(fluoromethyl)-6-methylpyridazin-3-one?
The InChIKey is LDPAUGWXLJXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-5-2-3-6(10)9(4-7)8-5/h2-3H,4H2,1H3.
What are the key properties of 2-(fluoromethyl)-6-methylpyridazin-3-one?
2-(fluoromethyl)-6-methylpyridazin-3-one has a molecular weight of 142.13 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 122579452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).