6-fluoro-2-methylpyridazin-3-one

C5H5FN2O — CID 19788615

IUPAC6-fluoro-2-methylpyridazin-3-one
SMILESCn1nc(F)ccc1=O
InChIInChI=1S/C5H5FN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKeySDLGCKRGXJRLEN-UHFFFAOYSA-N
MW128.11 g/mol
LogP-0.08
Rot. Bonds

About 6-fluoro-2-methylpyridazin-3-one

6-fluoro-2-methylpyridazin-3-one (PubChem CID 19788615) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 6-fluoro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-fluoro-2-methylpyridazin-3-one
PubChem CID19788615
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name6-fluoro-2-methylpyridazin-3-one
SMILESCn1nc(F)ccc1=O
InChIInChI=1S/C5H5FN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3
InChIKeySDLGCKRGXJRLEN-UHFFFAOYSA-N
XLogP-0.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
6-Chloro-2-methyl-2,3-dihydropyridazin-3-one
CID 2783607
6-Bromo-2-methyl-3(2H)-pyridazinone
CID 14118999
6-Chloro-2-(difluoromethyl)pyridazin-3-one
CID 69306581
6-Chloro-2-(fluoromethyl)pyridazin-3-one
CID 69307412
6-Bromo-2-(difluoromethyl)pyridazin-3-one
CID 121314033
2-(Fluoromethyl)-6-methylpyridazin-3-one
CID 122579452
2-(Fluoromethyl)pyridazin-3-one
CID 140988504
6-Bromo-2-(2-fluoroethyl)pyridazin-3-one
CID 165406402
6-Bromo-2-(fluoromethyl)pyridazin-3-one
CID 165406444
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-Methylpyridazin-3-one;hydrochloride
CID 23018228

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylpyridazin-3-one?
The IUPAC name of 6-fluoro-2-methylpyridazin-3-one (CID 19788615) is 6-fluoro-2-methylpyridazin-3-one.
What is the SMILES notation for 6-fluoro-2-methylpyridazin-3-one?
The canonical SMILES for 6-fluoro-2-methylpyridazin-3-one is Cn1nc(F)ccc1=O.
What is the InChIKey of 6-fluoro-2-methylpyridazin-3-one?
The InChIKey is SDLGCKRGXJRLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3.
What are the key properties of 6-fluoro-2-methylpyridazin-3-one?
6-fluoro-2-methylpyridazin-3-one has a molecular weight of 128.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylpyridazin-3-one is sourced from PubChem (CID 19788615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).