2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol

C13H11BrClNO — CID 104799790

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11BrClNO/c14-11-5-9(7-16-8-11)6-13(17)10-1-3-12(15)4-2-10/h1-5,7-8,13,17H,6H2
InChIKeyAYLXEHHUMCODQZ-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.77
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol (PubChem CID 104799790) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
PubChem CID104799790
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11BrClNO/c14-11-5-9(7-16-8-11)6-13(17)10-1-3-12(15)4-2-10/h1-5,7-8,13,17H,6H2
InChIKeyAYLXEHHUMCODQZ-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
CID 115833386
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol (CID 104799790) is 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol is OC(Cc1cncc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol?
The InChIKey is AYLXEHHUMCODQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c14-11-5-9(7-16-8-11)6-13(17)10-1-3-12(15)4-2-10/h1-5,7-8,13,17H,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol has a molecular weight of 312.59 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 104799790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).