1-(5-bromo-6-methoxy-3-pyridinyl)ethanol

C8H10BrNO2 — CID 171478213

IUPAC1-(5-bromo-6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncc(C(C)O)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-5(11)6-3-7(9)8(12-2)10-4-6/h3-5,11H,1-2H3
InChIKeyIKEZUWGXICZFSF-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol

1-(5-bromo-6-methoxy-3-pyridinyl)ethanol (PubChem CID 171478213) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-6-methoxy-3-pyridinyl)ethanol
PubChem CID171478213
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name1-(5-bromo-6-methoxy-3-pyridinyl)ethanol
SMILESCOc1ncc(C(C)O)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-5(11)6-3-7(9)8(12-2)10-4-6/h3-5,11H,1-2H3
InChIKeyIKEZUWGXICZFSF-UHFFFAOYSA-N
XLogP1.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol?
The IUPAC name of 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol (CID 171478213) is 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol?
The canonical SMILES for 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol is COc1ncc(C(C)O)cc1Br.
What is the InChIKey of 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol?
The InChIKey is IKEZUWGXICZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-5(11)6-3-7(9)8(12-2)10-4-6/h3-5,11H,1-2H3.
What are the key properties of 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol?
1-(5-bromo-6-methoxy-3-pyridinyl)ethanol has a molecular weight of 232.08 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 171478213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).