3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine

C11H7Cl2FN2O — CID 63877810

IUPAC3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
SMILESFc1ccc(Oc2ccc(CCl)nn2)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-6-7-1-4-11(16-15-7)17-8-2-3-10(14)9(13)5-8/h1-5H,6H2
InChIKeyKUPCMQITNNGABV-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.80
Rot. Bonds3

About 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine

3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine (PubChem CID 63877810) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
PubChem CID63877810
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine
SMILESFc1ccc(Oc2ccc(CCl)nn2)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O/c12-6-7-1-4-11(16-15-7)17-8-2-3-10(14)9(13)5-8/h1-5H,6H2
InChIKeyKUPCMQITNNGABV-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-6-[(5-chloro-3-pyridinyl)oxy]pyridazine
CID 64601011
3-(chloromethyl)-6-(4-iodophenoxy)pyridazine
CID 61269176
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706
3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
3-(chloromethyl)-6-(4-phenylphenoxy)pyridazine
CID 61268607
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
CID 61268789
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-1,3-difluorobenzene
CID 63879344
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62322260
3-(chloromethyl)-6-pyridin-3-yloxypyridazine
CID 61268782
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine (CID 63877810) is 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine is Fc1ccc(Oc2ccc(CCl)nn2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine?
The InChIKey is KUPCMQITNNGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-6-7-1-4-11(16-15-7)17-8-2-3-10(14)9(13)5-8/h1-5H,6H2.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine?
3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine has a molecular weight of 273.09 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-6-(chloromethyl)pyridazine is sourced from PubChem (CID 63877810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).