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

C7H9FN2O — CID 55262640

IUPAC(2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1ncccc1F
InChIInChI=1S/C7H9FN2O/c8-5-2-1-3-10-7(5)6(9)4-11/h1-3,6,11H,4,9H2/t6-/m1/s1
InChIKeyWVFXBLUKJSOALN-ZCFIWIBFSA-N
MW156.16 g/mol
LogP0.21
Rot. Bonds2

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

(2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol (PubChem CID 55262640) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol
PubChem CID55262640
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol
SMILESN[C@H](CO)c1ncccc1F
InChIInChI=1S/C7H9FN2O/c8-5-2-1-3-10-7(5)6(9)4-11/h1-3,6,11H,4,9H2/t6-/m1/s1
InChIKeyWVFXBLUKJSOALN-ZCFIWIBFSA-N
XLogP0.21
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol (CID 55262640) is (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol is N[C@H](CO)c1ncccc1F.
What is the InChIKey of (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol?
The InChIKey is WVFXBLUKJSOALN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-5-2-1-3-10-7(5)6(9)4-11/h1-3,6,11H,4,9H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol?
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)ethanol has a molecular weight of 156.16 g/mol, XLogP of 0.21, 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-(3-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 55262640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).