1-(6-bromo-2-pyridinyl)-2-fluoroethanol

C7H7BrFNO — CID 59525900

IUPAC1-(6-bromo-2-pyridinyl)-2-fluoroethanol
SMILESOC(CF)c1cccc(Br)n1
InChIInChI=1S/C7H7BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4H2
InChIKeyZOBWJUJWJMITSV-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.85
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-2-fluoroethanol

1-(6-bromo-2-pyridinyl)-2-fluoroethanol (PubChem CID 59525900) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-2-fluoroethanol.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-2-fluoroethanol
PubChem CID59525900
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name1-(6-bromo-2-pyridinyl)-2-fluoroethanol
SMILESOC(CF)c1cccc(Br)n1
InChIInChI=1S/C7H7BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4H2
InChIKeyZOBWJUJWJMITSV-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.85
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 1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-2-fluoroethanol (CID 59525900) is 1-(6-bromo-2-pyridinyl)-2-fluoroethanol.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-2-fluoroethanol is OC(CF)c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
The InChIKey is ZOBWJUJWJMITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-7-3-1-2-5(10-7)6(11)4-9/h1-3,6,11H,4H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-2-fluoroethanol?
1-(6-bromo-2-pyridinyl)-2-fluoroethanol has a molecular weight of 220.04 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-2-fluoroethanol is sourced from PubChem (CID 59525900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).