2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol

C12H10BrFN2O — CID 105086547

IUPAC2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccnnc1
InChIInChI=1S/C12H10BrFN2O/c13-10-1-2-11(14)9(5-10)6-12(17)8-3-4-15-16-7-8/h1-5,7,12,17H,6H2
InChIKeyJELOUBSEPMJNCU-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.65
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol

2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol (PubChem CID 105086547) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol
PubChem CID105086547
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccnnc1
InChIInChI=1S/C12H10BrFN2O/c13-10-1-2-11(14)9(5-10)6-12(17)8-3-4-15-16-7-8/h1-5,7,12,17H,6H2
InChIKeyJELOUBSEPMJNCU-UHFFFAOYSA-N
XLogP2.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol (CID 105086547) is 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol is OC(Cc1cc(Br)ccc1F)c1ccnnc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol?
The InChIKey is JELOUBSEPMJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-10-1-2-11(14)9(5-10)6-12(17)8-3-4-15-16-7-8/h1-5,7,12,17H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol?
2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol has a molecular weight of 297.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105086547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).