2-(6-bromo-3-pyridinyl)ethanol

C7H8BrNO — CID 22473220

IUPAC2-(6-bromo-3-pyridinyl)ethanol
SMILESOCCc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c8-7-2-1-6(3-4-10)5-9-7/h1-2,5,10H,3-4H2
InChIKeySDZUYYXLNCMUFA-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.38
Rot. Bonds2

About 2-(6-bromo-3-pyridinyl)ethanol

2-(6-bromo-3-pyridinyl)ethanol (PubChem CID 22473220) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)ethanol
PubChem CID22473220
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-(6-bromo-3-pyridinyl)ethanol
SMILESOCCc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c8-7-2-1-6(3-4-10)5-9-7/h1-2,5,10H,3-4H2
InChIKeySDZUYYXLNCMUFA-UHFFFAOYSA-N
XLogP1.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)ethanol?
The IUPAC name of 2-(6-bromo-3-pyridinyl)ethanol (CID 22473220) is 2-(6-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)ethanol?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)ethanol is OCCc1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)ethanol?
The InChIKey is SDZUYYXLNCMUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-7-2-1-6(3-4-10)5-9-7/h1-2,5,10H,3-4H2.
What are the key properties of 2-(6-bromo-3-pyridinyl)ethanol?
2-(6-bromo-3-pyridinyl)ethanol has a molecular weight of 202.05 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 22473220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).