1-oxidopyridin-1-ium;phosphoric acid

C5H8NO5P — CID 175006762

IUPAC1-oxidopyridin-1-ium;phosphoric acid
SMILESO=P(O)(O)O.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4)
InChIKeyMRBYOJBXSOLZHF-UHFFFAOYSA-N
MW193.10 g/mol
LogP-0.61
Rot. Bonds

About 1-oxidopyridin-1-ium;phosphoric acid

1-oxidopyridin-1-ium;phosphoric acid (PubChem CID 175006762) has the molecular formula C5H8NO5P and a molecular weight of 193.10 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium;phosphoric acid.

Molecular Properties

Compound Name1-oxidopyridin-1-ium;phosphoric acid
PubChem CID175006762
Molecular FormulaC5H8NO5P
Molecular Weight193.10 g/mol
Exact Mass193.01
IUPAC Name1-oxidopyridin-1-ium;phosphoric acid
SMILESO=P(O)(O)O.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4)
InChIKeyMRBYOJBXSOLZHF-UHFFFAOYSA-N
XLogP-0.61
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

1-oxidopyridin-1-ium
CID 160920472
methane;1-oxidopyridin-1-ium
CID 70415464
azane;1-oxidopyridin-1-ium
CID 70225890
1-oxidopyridin-1-ium;hydrochloride
CID 13001057
CID 70504885
CID 70504885
calcium;benzene;hydride;phosphoric acid
CID 175005708
1-oxidopyridin-1-ium;sulfonylurea
CID 88606927
hydrogen peroxide;phosphoric acid
CID 18509931
ethane;methane;1-oxidopyridin-1-ium;pyridine
CID 159251318
benzene;difluorophosphinic acid
CID 175464766
potassium;hydride;hydrogen peroxide;phosphoric acid
CID 173155592
1-nonylpyridin-1-ium;phosphoric acid;hexahydrofluoride
CID 174819115

Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium;phosphoric acid?
The IUPAC name of 1-oxidopyridin-1-ium;phosphoric acid (CID 175006762) is 1-oxidopyridin-1-ium;phosphoric acid.
What is the SMILES notation for 1-oxidopyridin-1-ium;phosphoric acid?
The canonical SMILES for 1-oxidopyridin-1-ium;phosphoric acid is O=P(O)(O)O.[O-][n+]1ccccc1.
What is the InChIKey of 1-oxidopyridin-1-ium;phosphoric acid?
The InChIKey is MRBYOJBXSOLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4).
What are the key properties of 1-oxidopyridin-1-ium;phosphoric acid?
1-oxidopyridin-1-ium;phosphoric acid has a molecular weight of 193.10 g/mol, XLogP of -0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium;phosphoric acid is sourced from PubChem (CID 175006762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).