3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine

C13H13FN2O — CID 139221070

IUPAC3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine
SMILESCc1cc(C)cc(COc2ccc(F)nn2)c1
InChIInChI=1S/C13H13FN2O/c1-9-5-10(2)7-11(6-9)8-17-13-4-3-12(14)15-16-13/h3-7H,8H2,1-2H3
InChIKeyQUOFDPOULRQCBA-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine

3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine (PubChem CID 139221070) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine
PubChem CID139221070
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine
SMILESCc1cc(C)cc(COc2ccc(F)nn2)c1
InChIInChI=1S/C13H13FN2O/c1-9-5-10(2)7-11(6-9)8-17-13-4-3-12(14)15-16-13/h3-7H,8H2,1-2H3
InChIKeyQUOFDPOULRQCBA-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Credazine
CID 26715
3,6-Bis(4-methylphenoxy)pyridazine
CID 6408790
3-(6-Ethoxy-pyridazin-4-yl)-benzonitrile
CID 11629964
6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320180
6-Methyl-3-phenoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76334654
3,6-Bis(2-methylphenoxy)pyridazine
CID 2999999
6-Heptyloxy-3,4-diphenyl-pyridazine
CID 11110783
6-Methyl-3-[3-(trifluoromethyl)phenoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312965
3-[(3-Fluorophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320181
6-Methyl-3-[(2-methylphenyl)methoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323832
3-(3,5-Difluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323851
3-(4-Fluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327409

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine?
The IUPAC name of 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine (CID 139221070) is 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine is Cc1cc(C)cc(COc2ccc(F)nn2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine?
The InChIKey is QUOFDPOULRQCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-5-10(2)7-11(6-9)8-17-13-4-3-12(14)15-16-13/h3-7H,8H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine?
3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine has a molecular weight of 232.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methoxy]-6-fluoropyridazine is sourced from PubChem (CID 139221070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).