2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol

C8H9BrFNO — CID 86668029

IUPAC2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1nc(Br)ccc1F
InChIInChI=1S/C8H9BrFNO/c1-8(2,12)7-5(10)3-4-6(9)11-7/h3-4,12H,1-2H3
InChIKeyMNJIWRWCZDVKRN-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.21
Rot. Bonds1

About 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol

2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 86668029) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol
PubChem CID86668029
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1nc(Br)ccc1F
InChIInChI=1S/C8H9BrFNO/c1-8(2,12)7-5(10)3-4-6(9)11-7/h3-4,12H,1-2H3
InChIKeyMNJIWRWCZDVKRN-UHFFFAOYSA-N
XLogP2.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol (CID 86668029) is 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol is CC(C)(O)c1nc(Br)ccc1F.
What is the InChIKey of 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is MNJIWRWCZDVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-8(2,12)7-5(10)3-4-6(9)11-7/h3-4,12H,1-2H3.
What are the key properties of 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 234.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 86668029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).