2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

C14H15BrN2O — CID 107502739

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cn2)cc(C)n1
InChIInChI=1S/C14H15BrN2O/c1-9-5-11(6-10(2)17-9)14(18)7-13-4-3-12(15)8-16-13/h3-6,8,14,18H,7H2,1-2H3
InChIKeyCOEFWIWUSQLYSZ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.13
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol

2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (PubChem CID 107502739) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
PubChem CID107502739
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cn2)cc(C)n1
InChIInChI=1S/C14H15BrN2O/c1-9-5-11(6-10(2)17-9)14(18)7-13-4-3-12(15)8-16-13/h3-6,8,14,18H,7H2,1-2H3
InChIKeyCOEFWIWUSQLYSZ-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

Analyze 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol with MolForge

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Related Compounds

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2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
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2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
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CID 104801712
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
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CID 115822213

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol (CID 107502739) is 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol is Cc1cc(C(O)Cc2ccc(Br)cn2)cc(C)n1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
The InChIKey is COEFWIWUSQLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-11(6-10(2)17-9)14(18)7-13-4-3-12(15)8-16-13/h3-6,8,14,18H,7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-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-(2,6-dimethyl-4-pyridinyl)ethanol is sourced from PubChem (CID 107502739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).