1-(6-bromo-2-pyridinyl)ethane-1,2-diol

C7H8BrNO2 — CID 59525899

IUPAC1-(6-bromo-2-pyridinyl)ethane-1,2-diol
SMILESOCC(O)c1cccc(Br)n1
InChIInChI=1S/C7H8BrNO2/c8-7-3-1-2-5(9-7)6(11)4-10/h1-3,6,10-11H,4H2
InChIKeyWQARHIGYIBQVDK-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.87
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)ethane-1,2-diol

1-(6-bromo-2-pyridinyl)ethane-1,2-diol (PubChem CID 59525899) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)ethane-1,2-diol
PubChem CID59525899
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name1-(6-bromo-2-pyridinyl)ethane-1,2-diol
SMILESOCC(O)c1cccc(Br)n1
InChIInChI=1S/C7H8BrNO2/c8-7-3-1-2-5(9-7)6(11)4-10/h1-3,6,10-11H,4H2
InChIKeyWQARHIGYIBQVDK-UHFFFAOYSA-N
XLogP0.87
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.87
H-Bond Donors ≤ 52
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 1-(6-bromo-2-pyridinyl)ethane-1,2-diol?
The IUPAC name of 1-(6-bromo-2-pyridinyl)ethane-1,2-diol (CID 59525899) is 1-(6-bromo-2-pyridinyl)ethane-1,2-diol.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)ethane-1,2-diol?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)ethane-1,2-diol is OCC(O)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)ethane-1,2-diol?
The InChIKey is WQARHIGYIBQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c8-7-3-1-2-5(9-7)6(11)4-10/h1-3,6,10-11H,4H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)ethane-1,2-diol?
1-(6-bromo-2-pyridinyl)ethane-1,2-diol has a molecular weight of 218.05 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)ethane-1,2-diol is sourced from PubChem (CID 59525899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).