(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol

C7H9BrN2O — CID 124518455

IUPAC(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
SMILESN[C@H](CO)c1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O/c8-6-1-5(2-10-3-6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m1/s1
InChIKeyFIVFUVIGLMTVPC-SSDOTTSWSA-N
MW217.07 g/mol
LogP0.84
Rot. Bonds2

About (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol

(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol (PubChem CID 124518455) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
PubChem CID124518455
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
SMILESN[C@H](CO)c1cncc(Br)c1
InChIInChI=1S/C7H9BrN2O/c8-6-1-5(2-10-3-6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m1/s1
InChIKeyFIVFUVIGLMTVPC-SSDOTTSWSA-N
XLogP0.84
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1S)-1-(5-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312815
(1R)-1-(5-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171198685
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-amine
CID 82922561
1-(5-bromo-3-pyridinyl)-5-methylhexan-1-amine
CID 83161704
1-(5-bromo-3-pyridinyl)-2-methylsulfonylethanamine
CID 130060487
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol (CID 124518455) is (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol is N[C@H](CO)c1cncc(Br)c1.
What is the InChIKey of (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol?
The InChIKey is FIVFUVIGLMTVPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-6-1-5(2-10-3-6)7(9)4-11/h1-3,7,11H,4,9H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol?
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol has a molecular weight of 217.07 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 124518455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).