1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol

C13H12BrNO2 — CID 12026658

IUPAC1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
SMILESOCC(O)(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H12BrNO2/c14-11-6-7-12(15-8-11)13(17,9-16)10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKeyMTSZAJHUVAWXKV-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.07
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol

1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol (PubChem CID 12026658) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
PubChem CID12026658
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
SMILESOCC(O)(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H12BrNO2/c14-11-6-7-12(15-8-11)13(17,9-16)10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKeyMTSZAJHUVAWXKV-UHFFFAOYSA-N
XLogP2.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropan-1-ol
CID 64819301
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide
CID 123413758
1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
CID 90380506
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
CID 159960956
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
gold(1+);2-phenylpropane-1,2-diol
CID 88672185
(2S)-3-(5-bromo-2-pyridinyl)-2-(oxan-2-yloxy)pentan-3-ol
CID 69166040
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]-2-phenylpropan-2-ol;(2R)-3-amino-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]-2-phenylpropan-2-ol
CID 157179865

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol (CID 12026658) is 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol is OCC(O)(c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol?
The InChIKey is MTSZAJHUVAWXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-11-6-7-12(15-8-11)13(17,9-16)10-4-2-1-3-5-10/h1-8,16-17H,9H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol?
1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol has a molecular weight of 294.15 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol is sourced from PubChem (CID 12026658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).