2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

C15H16BrFN2O — CID 105082309

IUPAC2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7,15,20H,3,8H2,1-2H3
InChIKeyIJFMASVTMXOREX-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.53
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol

2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (PubChem CID 105082309) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
PubChem CID105082309
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
SMILESCCc1nnc(C)cc1C(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7,15,20H,3,8H2,1-2H3
InChIKeyIJFMASVTMXOREX-UHFFFAOYSA-N
XLogP3.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol (CID 105082309) is 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is CCc1nnc(C)cc1C(O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
The InChIKey is IJFMASVTMXOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-14-11(6-9(2)18-19-14)15(20)8-10-4-5-13(17)12(16)7-10/h4-7,15,20H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol?
2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol has a molecular weight of 339.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105082309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).