2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol

C12H10BrFN2O — CID 102924092

IUPAC2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
SMILESOC(Cc1cccc(F)c1Br)c1cncnc1
InChIInChI=1S/C12H10BrFN2O/c13-12-8(2-1-3-10(12)14)4-11(17)9-5-15-7-16-6-9/h1-3,5-7,11,17H,4H2
InChIKeyCJELIPXOBUMRQO-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.65
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol

2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol (PubChem CID 102924092) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
PubChem CID102924092
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
SMILESOC(Cc1cccc(F)c1Br)c1cncnc1
InChIInChI=1S/C12H10BrFN2O/c13-12-8(2-1-3-10(12)14)4-11(17)9-5-15-7-16-6-9/h1-3,5-7,11,17H,4H2
InChIKeyCJELIPXOBUMRQO-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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Related Compounds

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CID 114885692
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
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3-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115481111
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
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2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961
2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
2-(2-bromo-3-fluorophenyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800910
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanol
CID 62489843
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
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CID 103129098

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol (CID 102924092) is 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol is OC(Cc1cccc(F)c1Br)c1cncnc1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol?
The InChIKey is CJELIPXOBUMRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-12-8(2-1-3-10(12)14)4-11(17)9-5-15-7-16-6-9/h1-3,5-7,11,17H,4H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol?
2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-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-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 102924092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).