oxido(pyridin-2-ylmethyl)azanium

C6H8N2O — CID 87207811

IUPACoxido(pyridin-2-ylmethyl)azanium
SMILES[O-][NH2+]Cc1ccccn1
InChIInChI=1S/C6H8N2O/c9-8-5-6-3-1-2-4-7-6/h1-4H,5,8H2
InChIKeyWRHSPFZIHVJNPH-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.36
Rot. Bonds2

About oxido(pyridin-2-ylmethyl)azanium

oxido(pyridin-2-ylmethyl)azanium (PubChem CID 87207811) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is oxido(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Nameoxido(pyridin-2-ylmethyl)azanium
PubChem CID87207811
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Nameoxido(pyridin-2-ylmethyl)azanium
SMILES[O-][NH2+]Cc1ccccn1
InChIInChI=1S/C6H8N2O/c9-8-5-6-3-1-2-4-7-6/h1-4H,5,8H2
InChIKeyWRHSPFZIHVJNPH-UHFFFAOYSA-N
XLogP-0.36
TPSA52.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxido(pyridin-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
butyl(pyridin-2-ylmethyl)azanium
CID 40508011
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7148326
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
ethane;pyridin-2-ylmethanamine
CID 90791011
pyridin-2-ylmethanol;vanadium
CID 176962038
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
lithium pyridin-2-ylmethanethiolate
CID 20660763

Frequently Asked Questions

What is the IUPAC name of oxido(pyridin-2-ylmethyl)azanium?
The IUPAC name of oxido(pyridin-2-ylmethyl)azanium (CID 87207811) is oxido(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for oxido(pyridin-2-ylmethyl)azanium?
The canonical SMILES for oxido(pyridin-2-ylmethyl)azanium is [O-][NH2+]Cc1ccccn1.
What is the InChIKey of oxido(pyridin-2-ylmethyl)azanium?
The InChIKey is WRHSPFZIHVJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-8-5-6-3-1-2-4-7-6/h1-4H,5,8H2.
What are the key properties of oxido(pyridin-2-ylmethyl)azanium?
oxido(pyridin-2-ylmethyl)azanium has a molecular weight of 124.14 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 87207811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).