1-oxidopyridin-1-ium;phosphane

C5H8NOP — CID 174541376

IUPAC1-oxidopyridin-1-ium;phosphane
SMILESP.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.H3P/c7-6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyUHZVDWGBRDNFGR-UHFFFAOYSA-N
MW129.10 g/mol
LogP0.38
Rot. Bonds

About 1-oxidopyridin-1-ium;phosphane

1-oxidopyridin-1-ium;phosphane (PubChem CID 174541376) has the molecular formula C5H8NOP and a molecular weight of 129.10 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium;phosphane.

Molecular Properties

Compound Name1-oxidopyridin-1-ium;phosphane
PubChem CID174541376
Molecular FormulaC5H8NOP
Molecular Weight129.10 g/mol
Exact Mass129.03
IUPAC Name1-oxidopyridin-1-ium;phosphane
SMILESP.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.H3P/c7-6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyUHZVDWGBRDNFGR-UHFFFAOYSA-N
XLogP0.38
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.10
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium;phosphane?
The IUPAC name of 1-oxidopyridin-1-ium;phosphane (CID 174541376) is 1-oxidopyridin-1-ium;phosphane.
What is the SMILES notation for 1-oxidopyridin-1-ium;phosphane?
The canonical SMILES for 1-oxidopyridin-1-ium;phosphane is P.[O-][n+]1ccccc1.
What is the InChIKey of 1-oxidopyridin-1-ium;phosphane?
The InChIKey is UHZVDWGBRDNFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H3P/c7-6-4-2-1-3-5-6;/h1-5H;1H3.
What are the key properties of 1-oxidopyridin-1-ium;phosphane?
1-oxidopyridin-1-ium;phosphane has a molecular weight of 129.10 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium;phosphane is sourced from PubChem (CID 174541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).