N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide

C6H7N3O2 — CID 135966539

IUPACN'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc[nH]c1=O
InChIInChI=1S/C6H7N3O2/c7-5(9-11)4-2-1-3-8-6(4)10/h1-3,11H,(H2,7,9)(H,8,10)
InChIKeyMMDQJJBEZBXWHE-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.53
Rot. Bonds1

About N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide

N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 135966539) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID135966539
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC NameN'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc[nH]c1=O
InChIInChI=1S/C6H7N3O2/c7-5(9-11)4-2-1-3-8-6(4)10/h1-3,11H,(H2,7,9)(H,8,10)
InChIKeyMMDQJJBEZBXWHE-UHFFFAOYSA-N
XLogP-0.53
TPSA91.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide (CID 135966539) is N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\O)c1ccc[nH]c1=O.
What is the InChIKey of N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is MMDQJJBEZBXWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-5(9-11)4-2-1-3-8-6(4)10/h1-3,11H,(H2,7,9)(H,8,10).
What are the key properties of N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide?
N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 153.14 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 135966539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).