3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine

C17H9F5N2O — CID 68695474

IUPAC3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1ccc(F)cc1
InChIInChI=1S/C17H9F5N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(22)23-24-17)14-11(20)6-10(19)7-12(14)21/h2-7H,1H3
InChIKeyMLVOBCWFLYSHKH-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.51
Rot. Bonds3

About 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine

3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 68695474) has the molecular formula C17H9F5N2O and a molecular weight of 352.26 g/mol. Its IUPAC name is 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID68695474
Molecular FormulaC17H9F5N2O
Molecular Weight352.26 g/mol
Exact Mass352.06
IUPAC Name3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1ccc(F)cc1
InChIInChI=1S/C17H9F5N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(22)23-24-17)14-11(20)6-10(19)7-12(14)21/h2-7H,1H3
InChIKeyMLVOBCWFLYSHKH-UHFFFAOYSA-N
XLogP4.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluorophenyl)-5-(3,5-dimethoxyphenyl)-3-fluoro-6-methylpyridazine
CID 66926845
hydroxy-di(propan-2-yl)-[4-(2,4,6-trifluorophenyl)phenyl]silane
CID 90172221
5,7-difluoro-3-methoxy-1H-indazole
CID 175928722
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine
CID 86665914
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
5-(4-fluorophenyl)-6-methoxypyridin-3-amine
CID 46311843
2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
CID 18344232
5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
CID 117127348
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine (CID 68695474) is 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine is COc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is MLVOBCWFLYSHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N2O/c1-25-17-13(8-2-4-9(18)5-3-8)15(16(22)23-24-17)14-11(20)6-10(19)7-12(14)21/h2-7H,1H3.
What are the key properties of 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine?
3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 352.26 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-fluorophenyl)-6-methoxy-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 68695474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).