2-(6-bromo-2-pyridinyl)ethanol;oxolane

C11H16BrNO2 — CID 161320923

IUPAC2-(6-bromo-2-pyridinyl)ethanol;oxolane
SMILESC1CCOC1.OCCc1cccc(Br)n1
InChIInChI=1S/C7H8BrNO.C4H8O/c8-7-3-1-2-6(9-7)4-5-10;1-2-4-5-3-1/h1-3,10H,4-5H2;1-4H2
InChIKeyVKDCIPNZNRSRBV-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.18
Rot. Bonds2

About 2-(6-bromo-2-pyridinyl)ethanol;oxolane

2-(6-bromo-2-pyridinyl)ethanol;oxolane (PubChem CID 161320923) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)ethanol;oxolane.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)ethanol;oxolane
PubChem CID161320923
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(6-bromo-2-pyridinyl)ethanol;oxolane
SMILESC1CCOC1.OCCc1cccc(Br)n1
InChIInChI=1S/C7H8BrNO.C4H8O/c8-7-3-1-2-6(9-7)4-5-10;1-2-4-5-3-1/h1-3,10H,4-5H2;1-4H2
InChIKeyVKDCIPNZNRSRBV-UHFFFAOYSA-N
XLogP2.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2-pyridinyl)ethanol;oxolane?
The IUPAC name of 2-(6-bromo-2-pyridinyl)ethanol;oxolane (CID 161320923) is 2-(6-bromo-2-pyridinyl)ethanol;oxolane.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)ethanol;oxolane?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)ethanol;oxolane is C1CCOC1.OCCc1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)ethanol;oxolane?
The InChIKey is VKDCIPNZNRSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.C4H8O/c8-7-3-1-2-6(9-7)4-5-10;1-2-4-5-3-1/h1-3,10H,4-5H2;1-4H2.
What are the key properties of 2-(6-bromo-2-pyridinyl)ethanol;oxolane?
2-(6-bromo-2-pyridinyl)ethanol;oxolane has a molecular weight of 274.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)ethanol;oxolane is sourced from PubChem (CID 161320923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).