2-(2-fluorobutyl)pyridazin-3-one

C8H11FN2O — CID 130621297

IUPAC2-(2-fluorobutyl)pyridazin-3-one
SMILESCCC(F)Cn1ncccc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)6-11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3
InChIKeyWATINLXPTCYAGT-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.99
Rot. Bonds3

About 2-(2-fluorobutyl)pyridazin-3-one

2-(2-fluorobutyl)pyridazin-3-one (PubChem CID 130621297) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-(2-fluorobutyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluorobutyl)pyridazin-3-one
PubChem CID130621297
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-(2-fluorobutyl)pyridazin-3-one
SMILESCCC(F)Cn1ncccc1=O
InChIInChI=1S/C8H11FN2O/c1-2-7(9)6-11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3
InChIKeyWATINLXPTCYAGT-UHFFFAOYSA-N
XLogP0.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorobutyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(Fluoromethyl)pyridazin-3-one
CID 140988504
2-[(Z)-3-fluoro-2-[(Z)-prop-1-enyl]pent-2-enyl]pyridazin-3-one
CID 143974369
2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
2-(2,2,2-Trifluoroethyl)-6-trimethylstannylpyridazin-3-one
CID 172272402
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
2-(3,3-Difluorocyclobutyl)pyridazin-3-one
CID 175957563
2-(2,2,2-Trifluoroethyl)pyridazin-3-one;hydrochloride
CID 176084472
5-Iodo-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobutyl)pyridazin-3-one?
The IUPAC name of 2-(2-fluorobutyl)pyridazin-3-one (CID 130621297) is 2-(2-fluorobutyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-fluorobutyl)pyridazin-3-one?
The canonical SMILES for 2-(2-fluorobutyl)pyridazin-3-one is CCC(F)Cn1ncccc1=O.
What is the InChIKey of 2-(2-fluorobutyl)pyridazin-3-one?
The InChIKey is WATINLXPTCYAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-2-7(9)6-11-8(12)4-3-5-10-11/h3-5,7H,2,6H2,1H3.
What are the key properties of 2-(2-fluorobutyl)pyridazin-3-one?
2-(2-fluorobutyl)pyridazin-3-one has a molecular weight of 170.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobutyl)pyridazin-3-one is sourced from PubChem (CID 130621297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).