3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine

C15H16ClFN2O — CID 178141572

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine
SMILESCC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)8-11-6-7-15(19-18-11)20-9-12-13(16)4-3-5-14(12)17/h3-7,10H,8-9H2,1-2H3
InChIKeyJQILXCLIMJZTTN-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.05
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine

3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine (PubChem CID 178141572) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine
PubChem CID178141572
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine
SMILESCC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1
InChIInChI=1S/C15H16ClFN2O/c1-10(2)8-11-6-7-15(19-18-11)20-9-12-13(16)4-3-5-14(12)17/h3-7,10H,8-9H2,1-2H3
InChIKeyJQILXCLIMJZTTN-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine (CID 178141572) is 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine is CC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine?
The InChIKey is JQILXCLIMJZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-10(2)8-11-6-7-15(19-18-11)20-9-12-13(16)4-3-5-14(12)17/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine?
3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine has a molecular weight of 294.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylpropyl)pyridazine is sourced from PubChem (CID 178141572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).