2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol

C12H9BrF2N2O — CID 106274400

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ccnnc1
InChIInChI=1S/C12H9BrF2N2O/c13-9-1-2-10(14)8(12(9)15)5-11(18)7-3-4-16-17-6-7/h1-4,6,11,18H,5H2
InChIKeyPBLFGWNUWZZSIH-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.79
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol

2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol (PubChem CID 106274400) has the molecular formula C12H9BrF2N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol
PubChem CID106274400
Molecular FormulaC12H9BrF2N2O
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ccnnc1
InChIInChI=1S/C12H9BrF2N2O/c13-9-1-2-10(14)8(12(9)15)5-11(18)7-3-4-16-17-6-7/h1-4,6,11,18H,5H2
InChIKeyPBLFGWNUWZZSIH-UHFFFAOYSA-N
XLogP2.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Phenyl(4-pyridazinyl)methanol
CID 13205669
(3-Bromo-2-fluorophenyl)(pyridazin-3-yl)methanol
CID 86730395
1-(4-Bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
CID 178113422
(5-Methyl-4-pyridazinyl)phenylmethanol
CID 13205673
(3,6-Difluoropyridazin-4-yl)-phenylmethanol
CID 21858542
[2-Methyl-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanol
CID 102759181
2-(4-Fluorophenyl)-1-pyridazin-4-ylethanol
CID 105076979
(4-Fluorophenyl)-pyridazin-4-ylmethanol
CID 105077226
2-(2-Fluorophenyl)-1-pyridazin-4-ylethanol
CID 105077676
(3-Fluorophenyl)-pyridazin-4-ylmethanol
CID 105078308
2-(3-Fluorophenyl)-1-pyridazin-4-ylethanol
CID 105078986
2-(2,5-Difluorophenyl)-1-pyridazin-4-ylethanol
CID 105081030

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol (CID 106274400) is 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol is OC(Cc1c(F)ccc(Br)c1F)c1ccnnc1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol?
The InChIKey is PBLFGWNUWZZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O/c13-9-1-2-10(14)8(12(9)15)5-11(18)7-3-4-16-17-6-7/h1-4,6,11,18H,5H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol?
2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol has a molecular weight of 315.12 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 106274400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).