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

C7H9BrN2O — CID 130865139

IUPAC(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
SMILESN[C@H](CO)c1cccnc1Br
InChIInChI=1S/C7H9BrN2O/c8-7-5(6(9)4-11)2-1-3-10-7/h1-3,6,11H,4,9H2/t6-/m1/s1
InChIKeyIWNRUZGIJFJDIP-ZCFIWIBFSA-N
MW217.07 g/mol
LogP0.84
Rot. Bonds2

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

(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol (PubChem CID 130865139) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
PubChem CID130865139
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name(2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol
SMILESN[C@H](CO)c1cccnc1Br
InChIInChI=1S/C7H9BrN2O/c8-7-5(6(9)4-11)2-1-3-10-7/h1-3,6,11H,4,9H2/t6-/m1/s1
InChIKeyIWNRUZGIJFJDIP-ZCFIWIBFSA-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

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130642809
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
(1R)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171313620
(1S)-1-(2-bromo-3-pyridinyl)-3,3-difluoropropan-1-amine
CID 171312989
(1R)-1-(2-bromo-3-pyridinyl)-3-methylbut-3-en-1-amine
CID 130869347
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
(1R)-1-(2-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 130699495
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
2-amino-2-(2-ethoxy-3-pyridinyl)ethanol
CID 55294211
(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290353
2-bromo-3-propan-2-ylpyridine
CID 23436869
(R)-(2-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 124518533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol (CID 130865139) is (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol is N[C@H](CO)c1cccnc1Br.
What is the InChIKey of (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol?
The InChIKey is IWNRUZGIJFJDIP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-7-5(6(9)4-11)2-1-3-10-7/h1-3,6,11H,4,9H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-bromo-3-pyridinyl)ethanol?
(2S)-2-amino-2-(2-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-(2-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 130865139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).