(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride

C10H16BrClN2O — CID 171240763

IUPAC(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1ccc(Br)nc1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/c1-10(2,6-14)9(12)7-3-4-8(11)13-5-7;/h3-5,9,14H,6,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBWJCDTVCGBYQKN-SBSPUUFOSA-N
MW295.61 g/mol
LogP2.28
Rot. Bonds3

About (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride

(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride (PubChem CID 171240763) has the molecular formula C10H16BrClN2O and a molecular weight of 295.61 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
PubChem CID171240763
Molecular FormulaC10H16BrClN2O
Molecular Weight295.61 g/mol
Exact Mass294.01
IUPAC Name(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](N)c1ccc(Br)nc1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/c1-10(2,6-14)9(12)7-3-4-8(11)13-5-7;/h3-5,9,14H,6,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBWJCDTVCGBYQKN-SBSPUUFOSA-N
XLogP2.28
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130740917
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
ethyl (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-difluoropropanoate;hydrochloride
CID 171240758
1-(6-bromo-3-pyridinyl)ethanamine;2-methylpropane-2-thiol
CID 166535430
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzoic acid;hydrochloride
CID 171238857
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171239556
(1S)-1-(6-bromo-3-pyridinyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171222885
[1-(6-bromo-3-pyridinyl)-3,3-dimethylbutyl] carbamate
CID 175305329
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
3-(6-bromo-3-pyridinyl)pentane-1,5-diol
CID 165356587
(3S)-3-amino-2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-ol;hydrochloride
CID 171249308

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride (CID 171240763) is (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride is CC(C)(CO)[C@H](N)c1ccc(Br)nc1.Cl.
What is the InChIKey of (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride?
The InChIKey is BWJCDTVCGBYQKN-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H15BrN2O.ClH/c1-10(2,6-14)9(12)7-3-4-8(11)13-5-7;/h3-5,9,14H,6,12H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride?
(3R)-3-amino-3-(6-bromo-3-pyridinyl)-2,2-dimethylpropan-1-ol;hydrochloride has a molecular weight of 295.61 g/mol, XLogP of 2.28, 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)-2,2-dimethylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171240763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).