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

C5H7NO+2 — CID 175711968

IUPAChydron;3H-pyridin-1-ium-3-ol
SMILESOC1C=CC=[N+]=C1.[H+]
InChIInChI=1S/C5H6NO/c7-5-2-1-3-6-4-5/h1-5,7H/q+1/p+1
InChIKeyIWZLLCXDRIHNTQ-UHFFFAOYSA-O
MW97.12 g/mol
LogP-0.76
Rot. Bonds

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

hydron;3H-pyridin-1-ium-3-ol (PubChem CID 175711968) has the molecular formula C5H7NO+2 and a molecular weight of 97.12 g/mol. Its IUPAC name is hydron;3H-pyridin-1-ium-3-ol.

Molecular Properties

Compound Namehydron;3H-pyridin-1-ium-3-ol
PubChem CID175711968
Molecular FormulaC5H7NO+2
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Namehydron;3H-pyridin-1-ium-3-ol
SMILESOC1C=CC=[N+]=C1.[H+]
InChIInChI=1S/C5H6NO/c7-5-2-1-3-6-4-5/h1-5,7H/q+1/p+1
InChIKeyIWZLLCXDRIHNTQ-UHFFFAOYSA-O
XLogP-0.76
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of hydron;3H-pyridin-1-ium-3-ol (CID 175711968) is hydron;3H-pyridin-1-ium-3-ol.
What is the SMILES notation for hydron;3H-pyridin-1-ium-3-ol?
The canonical SMILES for hydron;3H-pyridin-1-ium-3-ol is OC1C=CC=[N+]=C1.[H+].
What is the InChIKey of hydron;3H-pyridin-1-ium-3-ol?
The InChIKey is IWZLLCXDRIHNTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6NO/c7-5-2-1-3-6-4-5/h1-5,7H/q+1/p+1.
What are the key properties of hydron;3H-pyridin-1-ium-3-ol?
hydron;3H-pyridin-1-ium-3-ol has a molecular weight of 97.12 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;3H-pyridin-1-ium-3-ol is sourced from PubChem (CID 175711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).