(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol

C7H8BrFN2O — CID 131139047

IUPAC(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ncc(Br)cc1F
InChIInChI=1S/C7H8BrFN2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1
InChIKeyIVBBWUNSTLEEJG-LURJTMIESA-N
MW235.06 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol

(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol (PubChem CID 131139047) has the molecular formula C7H8BrFN2O and a molecular weight of 235.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
PubChem CID131139047
Molecular FormulaC7H8BrFN2O
Molecular Weight235.06 g/mol
Exact Mass233.98
IUPAC Name(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
SMILESN[C@@H](CO)c1ncc(Br)cc1F
InChIInChI=1S/C7H8BrFN2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1
InChIKeyIVBBWUNSTLEEJG-LURJTMIESA-N
XLogP0.98
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
CID 70700762
(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine
CID 131053112
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
(2R)-2-amino-2-(3,5-dibromo-4-methyl-2-pyridinyl)ethanol
CID 130614708
(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol
CID 67033062
2-(5-bromo-3-fluoro-2-pyridinyl)-2-cyclopropylacetic acid
CID 175669184
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 106796928
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol (CID 131139047) is (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol is N[C@@H](CO)c1ncc(Br)cc1F.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol?
The InChIKey is IVBBWUNSTLEEJG-LURJTMIESA-N. The full InChI is InChI=1S/C7H8BrFN2O/c8-4-1-5(9)7(11-2-4)6(10)3-12/h1-2,6,12H,3,10H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol?
(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol has a molecular weight of 235.06 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 131139047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).