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

C16H18ClFN2O — CID 178141185

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine
SMILESCCC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1
InChIInChI=1S/C16H18ClFN2O/c1-3-11(2)9-12-7-8-16(20-19-12)21-10-13-14(17)5-4-6-15(13)18/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOHSVHFDDKUFVOE-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.44
Rot. Bonds6

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

3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine (PubChem CID 178141185) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine
PubChem CID178141185
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine
SMILESCCC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1
InChIInChI=1S/C16H18ClFN2O/c1-3-11(2)9-12-7-8-16(20-19-12)21-10-13-14(17)5-4-6-15(13)18/h4-8,11H,3,9-10H2,1-2H3
InChIKeyOHSVHFDDKUFVOE-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.44
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-methylbutyl)pyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine (CID 178141185) is 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine is CCC(C)Cc1ccc(OCc2c(F)cccc2Cl)nn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine?
The InChIKey is OHSVHFDDKUFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-11(2)9-12-7-8-16(20-19-12)21-10-13-14(17)5-4-6-15(13)18/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine?
3-[(2-chloro-6-fluorophenyl)methoxy]-6-(2-methylbutyl)pyridazine has a molecular weight of 308.78 g/mol, XLogP of 4.44, 6 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-methylbutyl)pyridazine is sourced from PubChem (CID 178141185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).