2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

C14H14BrFN2O — CID 105089173

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cc2F)c(C)nn1
InChIInChI=1S/C14H14BrFN2O/c1-8-5-12(9(2)18-17-8)14(19)6-10-3-4-11(15)7-13(10)16/h3-5,7,14,19H,6H2,1-2H3
InChIKeyVUQGSALDPLYBMF-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (PubChem CID 105089173) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
PubChem CID105089173
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cc2F)c(C)nn1
InChIInChI=1S/C14H14BrFN2O/c1-8-5-12(9(2)18-17-8)14(19)6-10-3-4-11(15)7-13(10)16/h3-5,7,14,19H,6H2,1-2H3
InChIKeyVUQGSALDPLYBMF-UHFFFAOYSA-N
XLogP3.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Bromo-2-fluorophenyl)(pyridazin-3-yl)methanol
CID 86730395
(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
CID 149104383
2-[3-Phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol
CID 154632256
[6-(3,5-Difluorophenyl)pyridazin-3-yl]methanol
CID 176108212
1-(4-Bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
CID 178113422
4-(1-Hydroxyethyl)-3,6-diphenyl-pyridazine
CID 164575610
4-(1-Hydroxypropyl)-3,6-diphenyl-pyridazine
CID 164575628
(3,6-Difluoropyridazin-4-yl)-phenylmethanol
CID 21858542
1-Phenyl-2-[6-(trifluoromethyl)pyridazin-3-yl]ethanol
CID 81837751
2-(2-Chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
2-(3-Chloro-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102867563
2-(3-Chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol (CID 105089173) is 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is Cc1cc(C(O)Cc2ccc(Br)cc2F)c(C)nn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
The InChIKey is VUQGSALDPLYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-8-5-12(9(2)18-17-8)14(19)6-10-3-4-11(15)7-13(10)16/h3-5,7,14,19H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol has a molecular weight of 325.18 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol is sourced from PubChem (CID 105089173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).