2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol

C12H11FN2O — CID 63987868

IUPAC2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
SMILESOC(Cc1ccccc1F)c1ccncn1
InChIInChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)7-12(16)11-5-6-14-8-15-11/h1-6,8,12,16H,7H2
InChIKeyQXWCONCDEJPSDO-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.89
Rot. Bonds3

About 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol

2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol (PubChem CID 63987868) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
PubChem CID63987868
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol
SMILESOC(Cc1ccccc1F)c1ccncn1
InChIInChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)7-12(16)11-5-6-14-8-15-11/h1-6,8,12,16H,7H2
InChIKeyQXWCONCDEJPSDO-UHFFFAOYSA-N
XLogP1.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-pyrimidin-4-ylethanol
CID 107883575
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
4-phenyl-1-pyrimidin-4-ylbutan-1-ol
CID 63988109
3-amino-1-pyrimidin-4-ylpropan-1-ol
CID 79125725
2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
3-(2-fluorophenyl)-3-pyrimidin-4-ylpropanoic acid
CID 116833998
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
2-(2-fluorophenyl)-1-(4-methylquinolin-2-yl)ethanol
CID 114754909
3-hydroxy-3-pyrimidin-4-ylpropanenitrile
CID 79118235
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674
2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol (CID 63987868) is 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol is OC(Cc1ccccc1F)c1ccncn1.
What is the InChIKey of 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol?
The InChIKey is QXWCONCDEJPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)7-12(16)11-5-6-14-8-15-11/h1-6,8,12,16H,7H2.
What are the key properties of 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol?
2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol has a molecular weight of 218.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-pyrimidin-4-ylethanol is sourced from PubChem (CID 63987868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).