2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol

C14H14BrNO — CID 11673721

IUPAC2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C14H14BrNO/c1-14(17,10-11-6-3-2-4-7-11)12-8-5-9-13(15)16-12/h2-9,17H,10H2,1H3
InChIKeyHZYQDHSIPKKUSH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.29
Rot. Bonds3

About 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol

2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol (PubChem CID 11673721) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol
PubChem CID11673721
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C14H14BrNO/c1-14(17,10-11-6-3-2-4-7-11)12-8-5-9-13(15)16-12/h2-9,17H,10H2,1H3
InChIKeyHZYQDHSIPKKUSH-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.29
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-2-pyridinyl)-1-phenylpropan-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-2-pyridinyl)-1-phenylpropan-2-ol?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol (CID 11673721) is 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol is CC(O)(Cc1ccccc1)c1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol?
The InChIKey is HZYQDHSIPKKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-14(17,10-11-6-3-2-4-7-11)12-8-5-9-13(15)16-12/h2-9,17H,10H2,1H3.
What are the key properties of 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol?
2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol has a molecular weight of 292.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-1-phenylpropan-2-ol is sourced from PubChem (CID 11673721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).