3H-pyridin-1-ium-6-ol

C5H6NO+ — CID 56998757

IUPAC3H-pyridin-1-ium-6-ol
SMILESOC1=[N+]=CCC=C1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1,3-4H,2H2/p+1
InChIKeyCSMMEAYSMCAJPJ-UHFFFAOYSA-O
MW96.11 g/mol
LogP0.04
Rot. Bonds

About 3H-pyridin-1-ium-6-ol

3H-pyridin-1-ium-6-ol (PubChem CID 56998757) has the molecular formula C5H6NO+ and a molecular weight of 96.11 g/mol. Its IUPAC name is 3H-pyridin-1-ium-6-ol.

Molecular Properties

Compound Name3H-pyridin-1-ium-6-ol
PubChem CID56998757
Molecular FormulaC5H6NO+
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Name3H-pyridin-1-ium-6-ol
SMILESOC1=[N+]=CCC=C1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1,3-4H,2H2/p+1
InChIKeyCSMMEAYSMCAJPJ-UHFFFAOYSA-O
XLogP0.04
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 3H-pyridin-1-ium-6-ol?
The IUPAC name of 3H-pyridin-1-ium-6-ol (CID 56998757) is 3H-pyridin-1-ium-6-ol.
What is the SMILES notation for 3H-pyridin-1-ium-6-ol?
The canonical SMILES for 3H-pyridin-1-ium-6-ol is OC1=[N+]=CCC=C1.
What is the InChIKey of 3H-pyridin-1-ium-6-ol?
The InChIKey is CSMMEAYSMCAJPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1,3-4H,2H2/p+1.
What are the key properties of 3H-pyridin-1-ium-6-ol?
3H-pyridin-1-ium-6-ol has a molecular weight of 96.11 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-1-ium-6-ol is sourced from PubChem (CID 56998757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).