Pyridine N-Oxide

C5H5NO — CID 12753

IUPAC1-oxidopyridin-1-ium
SMILESC1=CC=[N+](C=C1)[O-]
InChIInChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyILVXOBCQQYKLDS-UHFFFAOYSA-N
MW95.10 g/mol
LogP-1.20
Rot. Bonds

About Pyridine N-Oxide

Pyridine N-Oxide (PubChem CID 12753) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium.

Molecular Properties

Compound NamePyridine N-Oxide
PubChem CID12753
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name1-oxidopyridin-1-ium
SMILESC1=CC=[N+](C=C1)[O-]
InChIInChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
InChIKeyILVXOBCQQYKLDS-UHFFFAOYSA-N
XLogP-1.20
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity50

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Pyridine
CID 1049
4-Aminopyridine
CID 1727
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
Pralidoxime Chloride
CID 135445761
4-Vinylpyridine
CID 7502
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Cetylpyridinium
CID 2683
Pralidoxime
CID 135398747
3-Cyanopyridine
CID 79
3-Ethylpyridine
CID 10823

Frequently Asked Questions

What is the IUPAC name of Pyridine N-Oxide?
The IUPAC name of Pyridine N-Oxide (CID 12753) is 1-oxidopyridin-1-ium.
What is the SMILES notation for Pyridine N-Oxide?
The canonical SMILES for Pyridine N-Oxide is C1=CC=[N+](C=C1)[O-].
What is the InChIKey of Pyridine N-Oxide?
The InChIKey is ILVXOBCQQYKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of Pyridine N-Oxide?
Pyridine N-Oxide has a molecular weight of 95.10 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Pyridine N-Oxide is sourced from PubChem (CID 12753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).