3-(chloromethyl)-6-(3-fluorophenyl)pyridazine

C11H8ClFN2 — CID 176989487

IUPAC3-(chloromethyl)-6-(3-fluorophenyl)pyridazine
SMILESFc1cccc(-c2ccc(CCl)nn2)c1
InChIInChI=1S/C11H8ClFN2/c12-7-10-4-5-11(15-14-10)8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyCEZDKZBAFDJMDJ-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.02
Rot. Bonds2

About 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine

3-(chloromethyl)-6-(3-fluorophenyl)pyridazine (PubChem CID 176989487) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(3-fluorophenyl)pyridazine
PubChem CID176989487
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name3-(chloromethyl)-6-(3-fluorophenyl)pyridazine
SMILESFc1cccc(-c2ccc(CCl)nn2)c1
InChIInChI=1S/C11H8ClFN2/c12-7-10-4-5-11(15-14-10)8-2-1-3-9(13)6-8/h1-6H,7H2
InChIKeyCEZDKZBAFDJMDJ-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3,6-bis(3-fluorophenyl)pyridine
CID 131869560
1-(1-bicyclo[1.1.1]pentanyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione
CID 166103315
1-cyclobutyl-4-[[6-(3-fluorophenyl)pyridazin-3-yl]methyl]pyrazine-2,3-dione
CID 166103241
2-N-[6-(3-fluorophenyl)pyridazin-3-yl]-2-N-methylpropane-1,2-diamine
CID 116973366
5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
4-chloro-6-(3-fluorophenyl)-2-propan-2-ylpyrimidine
CID 80952962
3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67524771
2-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]propanoic acid
CID 116971455
3-(chloromethyl)-4-ethyl-5-(3-fluorophenyl)-1,2,4-triazole
CID 115398189
6-(bromomethyl)-3-chloro-2-(3-fluorophenyl)pyridine
CID 58443291
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine (CID 176989487) is 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine is Fc1cccc(-c2ccc(CCl)nn2)c1.
What is the InChIKey of 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine?
The InChIKey is CEZDKZBAFDJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c12-7-10-4-5-11(15-14-10)8-2-1-3-9(13)6-8/h1-6H,7H2.
What are the key properties of 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine?
3-(chloromethyl)-6-(3-fluorophenyl)pyridazine has a molecular weight of 222.65 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(3-fluorophenyl)pyridazine is sourced from PubChem (CID 176989487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).