1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride

C14H25BrClFN2OSi — CID 88593161

IUPAC1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCC[Si](CC)(CC)c1cc(Br)nc(C(C)(O)CN)c1F.Cl
InChIInChI=1S/C14H24BrFN2OSi.ClH/c1-5-20(6-2,7-3)10-8-11(15)18-13(12(10)16)14(4,19)9-17;/h8,19H,5-7,9,17H2,1-4H3;1H
InChIKeyHSXJLQKWMNCCFN-UHFFFAOYSA-N
MW399.81 g/mol
LogP3.29
Rot. Bonds6

About 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride

1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride (PubChem CID 88593161) has the molecular formula C14H25BrClFN2OSi and a molecular weight of 399.81 g/mol. Its IUPAC name is 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride
PubChem CID88593161
Molecular FormulaC14H25BrClFN2OSi
Molecular Weight399.81 g/mol
Exact Mass398.06
IUPAC Name1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride
SMILESCC[Si](CC)(CC)c1cc(Br)nc(C(C)(O)CN)c1F.Cl
InChIInChI=1S/C14H24BrFN2OSi.ClH/c1-5-20(6-2,7-3)10-8-11(15)18-13(12(10)16)14(4,19)9-17;/h8,19H,5-7,9,17H2,1-4H3;1H
InChIKeyHSXJLQKWMNCCFN-UHFFFAOYSA-N
XLogP3.29
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride 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 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride (CID 88593161) is 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride is CC[Si](CC)(CC)c1cc(Br)nc(C(C)(O)CN)c1F.Cl.
What is the InChIKey of 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride?
The InChIKey is HSXJLQKWMNCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrFN2OSi.ClH/c1-5-20(6-2,7-3)10-8-11(15)18-13(12(10)16)14(4,19)9-17;/h8,19H,5-7,9,17H2,1-4H3;1H.
What are the key properties of 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride?
1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride has a molecular weight of 399.81 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(6-bromo-3-fluoro-4-triethylsilyl-2-pyridinyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 88593161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).