2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

C13H12BrFN2O2 — CID 102950450

IUPAC2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H12BrFN2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3
InChIKeyXFRCCRLFQDGTNN-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 102950450) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID102950450
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccc(Br)cc2F)ncn1
InChIInChI=1S/C13H12BrFN2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3
InChIKeyXFRCCRLFQDGTNN-UHFFFAOYSA-N
XLogP2.66
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950825
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
[2-(5-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953441
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol (CID 102950450) is 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(C(O)Cc2ccc(Br)cc2F)ncn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is XFRCCRLFQDGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-19-13-6-11(16-7-17-13)12(18)4-8-2-3-9(14)5-10(8)15/h2-3,5-7,12,18H,4H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 327.15 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 102950450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).