2-(2-bromophenyl)-1-pyrimidin-2-ylethanol

C12H11BrN2O — CID 60798582

IUPAC2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1ccccc1Br)c1ncccn1
InChIInChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-11(16)12-14-6-3-7-15-12/h1-7,11,16H,8H2
InChIKeyLHVURGWCKFXSCT-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol

2-(2-bromophenyl)-1-pyrimidin-2-ylethanol (PubChem CID 60798582) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
PubChem CID60798582
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
SMILESOC(Cc1ccccc1Br)c1ncccn1
InChIInChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-11(16)12-14-6-3-7-15-12/h1-7,11,16H,8H2
InChIKeyLHVURGWCKFXSCT-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
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2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol?
The IUPAC name of 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol (CID 60798582) is 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol is OC(Cc1ccccc1Br)c1ncccn1.
What is the InChIKey of 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol?
The InChIKey is LHVURGWCKFXSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-5-2-1-4-9(10)8-11(16)12-14-6-3-7-15-12/h1-7,11,16H,8H2.
What are the key properties of 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol?
2-(2-bromophenyl)-1-pyrimidin-2-ylethanol has a molecular weight of 279.14 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-pyrimidin-2-ylethanol is sourced from PubChem (CID 60798582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).