1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol

C7H6Br2FNO — CID 164894161

IUPAC1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)c1cc(Br)nc(Br)c1F
InChIInChI=1S/C7H6Br2FNO/c1-3(12)4-2-5(8)11-7(9)6(4)10/h2-3,12H,1H3
InChIKeyJBPJASLIQFLYRR-UHFFFAOYSA-N
MW298.94 g/mol
LogP2.80
Rot. Bonds1

About 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol

1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol (PubChem CID 164894161) has the molecular formula C7H6Br2FNO and a molecular weight of 298.94 g/mol. Its IUPAC name is 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol
PubChem CID164894161
Molecular FormulaC7H6Br2FNO
Molecular Weight298.94 g/mol
Exact Mass296.88
IUPAC Name1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)c1cc(Br)nc(Br)c1F
InChIInChI=1S/C7H6Br2FNO/c1-3(12)4-2-5(8)11-7(9)6(4)10/h2-3,12H,1H3
InChIKeyJBPJASLIQFLYRR-UHFFFAOYSA-N
XLogP2.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.94
LogP ≤ 52.80
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-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol?
The IUPAC name of 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol (CID 164894161) is 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol is CC(O)c1cc(Br)nc(Br)c1F.
What is the InChIKey of 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol?
The InChIKey is JBPJASLIQFLYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2FNO/c1-3(12)4-2-5(8)11-7(9)6(4)10/h2-3,12H,1H3.
What are the key properties of 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol?
1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol has a molecular weight of 298.94 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol is sourced from PubChem (CID 164894161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).