(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride

C8H12BrClN2O — CID 171203341

IUPAC(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(Br)nc1
InChIInChI=1S/C8H11BrN2O.ClH/c9-8-2-1-6(5-11-8)7(10)3-4-12;/h1-2,5,7,12H,3-4,10H2;1H/t7-;/m1./s1
InChIKeyYUUYTKHDEYIDMG-OGFXRTJISA-N
MW267.55 g/mol
LogP1.65
Rot. Bonds3

About (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride (PubChem CID 171203341) has the molecular formula C8H12BrClN2O and a molecular weight of 267.55 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
PubChem CID171203341
Molecular FormulaC8H12BrClN2O
Molecular Weight267.55 g/mol
Exact Mass265.98
IUPAC Name(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(Br)nc1
InChIInChI=1S/C8H11BrN2O.ClH/c9-8-2-1-6(5-11-8)7(10)3-4-12;/h1-2,5,7,12H,3-4,10H2;1H/t7-;/m1./s1
InChIKeyYUUYTKHDEYIDMG-OGFXRTJISA-N
XLogP1.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-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

Related Compounds

3-(6-bromo-3-pyridinyl)pentane-1,5-diol
CID 165356587
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171222885
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171240763
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 131028526
3-amino-3-(6-phenoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170875135
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
CID 130665412

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride (CID 171203341) is (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride is Cl.N[C@H](CCO)c1ccc(Br)nc1.
What is the InChIKey of (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride?
The InChIKey is YUUYTKHDEYIDMG-OGFXRTJISA-N. The full InChI is InChI=1S/C8H11BrN2O.ClH/c9-8-2-1-6(5-11-8)7(10)3-4-12;/h1-2,5,7,12H,3-4,10H2;1H/t7-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride has a molecular weight of 267.55 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171203341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).