(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone

C13H11FN2O — CID 105078698

IUPAC(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2)c(C)nn1
InChIInChI=1S/C13H11FN2O/c1-8-7-12(9(2)16-15-8)13(17)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyXVSRVUATNWVHKE-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.46
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone

(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 105078698) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
PubChem CID105078698
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C(=O)c2ccc(F)cc2)c(C)nn1
InChIInChI=1S/C13H11FN2O/c1-8-7-12(9(2)16-15-8)13(17)10-3-5-11(14)6-4-10/h3-7H,1-2H3
InChIKeyXVSRVUATNWVHKE-UHFFFAOYSA-N
XLogP2.46
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone 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

(3,6-dimethylpyridazin-4-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081876
(3,6-dimethylpyridazin-4-yl)-(furan-3-yl)methanone
CID 105099114
(5-bromo-2-fluorophenyl)-(3,6-dimethylpyridazin-4-yl)methanone
CID 105116420
N-(2-bromo-4-fluorophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548434
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(4-tert-butylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105093728
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
1-(3,6-dimethylpyridazin-4-yl)prop-2-en-1-one
CID 105110928
(4-fluorophenyl)-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 139878976
(4-fluorophenyl)-[4-(2-hydroxybutyl)-2-methylphenyl]methanone
CID 142346574

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone (CID 105078698) is (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone is Cc1cc(C(=O)c2ccc(F)cc2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is XVSRVUATNWVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-8-7-12(9(2)16-15-8)13(17)10-3-5-11(14)6-4-10/h3-7H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone?
(3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 230.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 105078698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).