2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol

C13H11Br2NO — CID 113393940

IUPAC2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11Br2NO/c14-10-3-1-9(2-4-10)7-13(17)12-6-5-11(15)8-16-12/h1-6,8,13,17H,7H2
InChIKeyOISTWNYMZKTYKH-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol

2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol (PubChem CID 113393940) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
PubChem CID113393940
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11Br2NO/c14-10-3-1-9(2-4-10)7-13(17)12-6-5-11(15)8-16-12/h1-6,8,13,17H,7H2
InChIKeyOISTWNYMZKTYKH-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
1-(5-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113393957
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
(1R)-1-(5-bromo-2-pyridinyl)-2-(cyclopropylmethylamino)ethanol
CID 99981105
1-(5-bromo-2-pyridinyl)-4-ethylsulfonylbutan-1-ol
CID 113393969
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
2-(4-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79722736
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270641

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol (CID 113393940) is 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol is OC(Cc1ccc(Br)cc1)c1ccc(Br)cn1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol?
The InChIKey is OISTWNYMZKTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-10-3-1-9(2-4-10)7-13(17)12-6-5-11(15)8-16-12/h1-6,8,13,17H,7H2.
What are the key properties of 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol?
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol has a molecular weight of 357.05 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol is sourced from PubChem (CID 113393940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).