hydron;3H-pyridin-1-ium-3-olate

C5H6NO+ — CID 101051265

IUPAChydron;3H-pyridin-1-ium-3-olate
SMILES[H+].[O-]C1C=CC=[N+]=C1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-5H/p+1
InChIKeyJUAMHADPZHZDJR-UHFFFAOYSA-O
MW96.11 g/mol
LogP-1.39
Rot. Bonds

About hydron;3H-pyridin-1-ium-3-olate

hydron;3H-pyridin-1-ium-3-olate (PubChem CID 101051265) has the molecular formula C5H6NO+ and a molecular weight of 96.11 g/mol. Its IUPAC name is hydron;3H-pyridin-1-ium-3-olate.

Molecular Properties

Compound Namehydron;3H-pyridin-1-ium-3-olate
PubChem CID101051265
Molecular FormulaC5H6NO+
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Namehydron;3H-pyridin-1-ium-3-olate
SMILES[H+].[O-]C1C=CC=[N+]=C1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-5H/p+1
InChIKeyJUAMHADPZHZDJR-UHFFFAOYSA-O
XLogP-1.39
TPSA37.16 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;3H-pyridin-1-ium-3-olate?
The IUPAC name of hydron;3H-pyridin-1-ium-3-olate (CID 101051265) is hydron;3H-pyridin-1-ium-3-olate.
What is the SMILES notation for hydron;3H-pyridin-1-ium-3-olate?
The canonical SMILES for hydron;3H-pyridin-1-ium-3-olate is [H+].[O-]C1C=CC=[N+]=C1.
What is the InChIKey of hydron;3H-pyridin-1-ium-3-olate?
The InChIKey is JUAMHADPZHZDJR-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-5H/p+1.
What are the key properties of hydron;3H-pyridin-1-ium-3-olate?
hydron;3H-pyridin-1-ium-3-olate has a molecular weight of 96.11 g/mol, XLogP of -1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;3H-pyridin-1-ium-3-olate is sourced from PubChem (CID 101051265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).