(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium

C7H10N2O2 — CID 167327930

IUPAC(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
SMILES[O-][NH2+]CC(O)c1ccccn1
InChIInChI=1S/C7H10N2O2/c10-7(5-9-11)6-3-1-2-4-8-6/h1-4,7,10H,5,9H2
InChIKeyVSYYQNXREWNXFU-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.82
Rot. Bonds3

About (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium

(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium (PubChem CID 167327930) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium.

Molecular Properties

Compound Name(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
PubChem CID167327930
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium
SMILES[O-][NH2+]CC(O)c1ccccn1
InChIInChI=1S/C7H10N2O2/c10-7(5-9-11)6-3-1-2-4-8-6/h1-4,7,10H,5,9H2
InChIKeyVSYYQNXREWNXFU-UHFFFAOYSA-N
XLogP-0.82
TPSA72.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-pyridin-2-ylethanol
CID 22145518
1,2-dipyridin-2-ylethanol
CID 11458306
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
CID 172780589
CID 172780589
1-pyridin-2-ylpent-3-yn-1-ol
CID 62309977
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
CID 166005900

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium?
The IUPAC name of (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium (CID 167327930) is (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium.
What is the SMILES notation for (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium?
The canonical SMILES for (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium is [O-][NH2+]CC(O)c1ccccn1.
What is the InChIKey of (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium?
The InChIKey is VSYYQNXREWNXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-7(5-9-11)6-3-1-2-4-8-6/h1-4,7,10H,5,9H2.
What are the key properties of (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium?
(2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium has a molecular weight of 154.17 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-pyridin-2-ylethyl)-oxidoazanium is sourced from PubChem (CID 167327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).