2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

C12H9BrCl2N2O — CID 104800394

IUPAC2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9BrCl2N2O/c13-7-1-2-9(16-5-7)4-11(18)12-10(15)3-8(14)6-17-12/h1-3,5-6,11,18H,4H2
InChIKeyXNIXWTJPPYPWJD-UHFFFAOYSA-N
MW348.03 g/mol
LogP3.82
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (PubChem CID 104800394) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
PubChem CID104800394
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cn1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9BrCl2N2O/c13-7-1-2-9(16-5-7)4-11(18)12-10(15)3-8(14)6-17-12/h1-3,5-6,11,18H,4H2
InChIKeyXNIXWTJPPYPWJD-UHFFFAOYSA-N
XLogP3.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol with MolForge

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(3-bromo-5-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79786869
2-(5-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 79780520
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
2-(5-bromo-2-pyridinyl)-1-(furan-2-yl)ethanol
CID 104800026
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281
1-(3,5-dichloro-2-pyridinyl)-3-methylidenepentan-1-ol
CID 79780608

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol (CID 104800394) is 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is OC(Cc1ccc(Br)cn1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
The InChIKey is XNIXWTJPPYPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c13-7-1-2-9(16-5-7)4-11(18)12-10(15)3-8(14)6-17-12/h1-3,5-6,11,18H,4H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol has a molecular weight of 348.03 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol is sourced from PubChem (CID 104800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).