(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol

C9H10N2O — CID 74891601

IUPAC(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
SMILESC#Cc1ccnc([C@H](N)CO)c1
InChIInChI=1S/C9H10N2O/c1-2-7-3-4-11-9(5-7)8(10)6-12/h1,3-5,8,12H,6,10H2/t8-/m1/s1
InChIKeyVLEWLIFFIVGSSZ-MRVPVSSYSA-N
MW162.19 g/mol
LogP0.05
Rot. Bonds2

About (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol

(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol (PubChem CID 74891601) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
PubChem CID74891601
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol
SMILESC#Cc1ccnc([C@H](N)CO)c1
InChIInChI=1S/C9H10N2O/c1-2-7-3-4-11-9(5-7)8(10)6-12/h1,3-5,8,12H,6,10H2/t8-/m1/s1
InChIKeyVLEWLIFFIVGSSZ-MRVPVSSYSA-N
XLogP0.05
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-ethynyl-2-pyridinyl)ethane-1,2-diamine
CID 74891570
(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
(2R)-2-amino-2-(4-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862844
amino-[(4-ethynyl-2-pyridinyl)amino]methanol
CID 123581046
(1R)-1-(4-ethynyl-2-pyridinyl)-N-methylethanamine
CID 74890287
2-amino-2-(4-ethynylphenyl)ethanol
CID 77129671
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
(2S)-2-amino-2-(2-amino-4-pyridinyl)ethanol
CID 55274821
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
CID 130677514
3-[2-(dimethoxymethyl)-4-pyridinyl]prop-2-yn-1-ol
CID 146317438
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol (CID 74891601) is (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol is C#Cc1ccnc([C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol?
The InChIKey is VLEWLIFFIVGSSZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-7-3-4-11-9(5-7)8(10)6-12/h1,3-5,8,12H,6,10H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol?
(2S)-2-amino-2-(4-ethynyl-2-pyridinyl)ethanol has a molecular weight of 162.19 g/mol, XLogP of 0.05, 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-(4-ethynyl-2-pyridinyl)ethanol is sourced from PubChem (CID 74891601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).