N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide

C6H6N2O3 — CID 137091091

IUPACN-hydroxy-1-oxidopyridin-1-ium-2-carboxamide
SMILESO=C(NO)c1cccc[n+]1[O-]
InChIInChI=1S/C6H6N2O3/c9-6(7-10)5-3-1-2-4-8(5)11/h1-4,10H,(H,7,9)
InChIKeyFROWZYRPGLGPIO-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.56
Rot. Bonds1

About N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide

N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide (PubChem CID 137091091) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID137091091
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC NameN-hydroxy-1-oxidopyridin-1-ium-2-carboxamide
SMILESO=C(NO)c1cccc[n+]1[O-]
InChIInChI=1S/C6H6N2O3/c9-6(7-10)5-3-1-2-4-8(5)11/h1-4,10H,(H,7,9)
InChIKeyFROWZYRPGLGPIO-UHFFFAOYSA-N
XLogP-0.56
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide?
The IUPAC name of N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide (CID 137091091) is N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide?
The canonical SMILES for N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide is O=C(NO)c1cccc[n+]1[O-].
What is the InChIKey of N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide?
The InChIKey is FROWZYRPGLGPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-6(7-10)5-3-1-2-4-8(5)11/h1-4,10H,(H,7,9).
What are the key properties of N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide?
N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide has a molecular weight of 154.12 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-oxidopyridin-1-ium-2-carboxamide is sourced from PubChem (CID 137091091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).