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

C14H15BrN2O — CID 104800583

IUPAC2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
SMILESCc1cnc(C(O)Cc2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-10(2)14(17-7-9)13(18)6-12-4-3-11(15)8-16-12/h3-5,7-8,13,18H,6H2,1-2H3
InChIKeyBAPOWXHWOXUGTF-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.13
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol (PubChem CID 104800583) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
PubChem CID104800583
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
SMILESCc1cnc(C(O)Cc2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-10(2)14(17-7-9)13(18)6-12-4-3-11(15)8-16-12/h3-5,7-8,13,18H,6H2,1-2H3
InChIKeyBAPOWXHWOXUGTF-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
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2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
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2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
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CID 104800026
2-(5-bromo-2-pyridinyl)-1-(4-methylthiadiazol-5-yl)ethanol
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2-(5-bromo-2-pyridinyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 104801686
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol (CID 104800583) is 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol is Cc1cnc(C(O)Cc2ccc(Br)cn2)c(C)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
The InChIKey is BAPOWXHWOXUGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-10(2)14(17-7-9)13(18)6-12-4-3-11(15)8-16-12/h3-5,7-8,13,18H,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol has a molecular weight of 307.19 g/mol, XLogP of 3.13, 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-dimethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 104800583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).