pyridin-1-ium-2-ol

C5H6NO+ — CID 5124050

IUPACpyridin-1-ium-2-ol
SMILESOc1cccc[nH+]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1
InChIKeyUBQKCCHYAOITMY-UHFFFAOYSA-O
MW96.11 g/mol
LogP0.21
Rot. Bonds

About pyridin-1-ium-2-ol

pyridin-1-ium-2-ol (PubChem CID 5124050) has the molecular formula C5H6NO+ and a molecular weight of 96.11 g/mol. Its IUPAC name is pyridin-1-ium-2-ol.

Molecular Properties

Compound Namepyridin-1-ium-2-ol
PubChem CID5124050
Molecular FormulaC5H6NO+
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Namepyridin-1-ium-2-ol
SMILESOc1cccc[nH+]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1
InChIKeyUBQKCCHYAOITMY-UHFFFAOYSA-O
XLogP0.21
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium-2-ol?
The IUPAC name of pyridin-1-ium-2-ol (CID 5124050) is pyridin-1-ium-2-ol.
What is the SMILES notation for pyridin-1-ium-2-ol?
The canonical SMILES for pyridin-1-ium-2-ol is Oc1cccc[nH+]1.
What is the InChIKey of pyridin-1-ium-2-ol?
The InChIKey is UBQKCCHYAOITMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1.
What are the key properties of pyridin-1-ium-2-ol?
pyridin-1-ium-2-ol has a molecular weight of 96.11 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium-2-ol is sourced from PubChem (CID 5124050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).