2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol

C8H9BrFNO — CID 87795313

IUPAC2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol
SMILESCC(O)(CF)c1ccc(Br)nc1
InChIInChI=1S/C8H9BrFNO/c1-8(12,5-10)6-2-3-7(9)11-4-6/h2-4,12H,5H2,1H3
InChIKeyZSUVZPNJPSXECA-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.02
Rot. Bonds2

About 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol

2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol (PubChem CID 87795313) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol
PubChem CID87795313
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol
SMILESCC(O)(CF)c1ccc(Br)nc1
InChIInChI=1S/C8H9BrFNO/c1-8(12,5-10)6-2-3-7(9)11-4-6/h2-4,12H,5H2,1H3
InChIKeyZSUVZPNJPSXECA-UHFFFAOYSA-N
XLogP2.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.02
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)-1-fluoropropan-2-ol?
The IUPAC name of 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol (CID 87795313) is 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol is CC(O)(CF)c1ccc(Br)nc1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol?
The InChIKey is ZSUVZPNJPSXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-8(12,5-10)6-2-3-7(9)11-4-6/h2-4,12H,5H2,1H3.
What are the key properties of 2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol?
2-(6-bromo-3-pyridinyl)-1-fluoropropan-2-ol has a molecular weight of 234.07 g/mol, XLogP of 2.02, 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)-1-fluoropropan-2-ol is sourced from PubChem (CID 87795313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).