sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate

C6H5N4NaO2 — CID 42622052

IUPACsodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate
SMILES[H]/N=C(\[O-])c1ccc(NN=O)nc1.[Na+]
InChIInChI=1S/C6H6N4O2.Na/c7-6(11)4-1-2-5(8-3-4)9-10-12;/h1-3H,(H2,7,11)(H,8,9,12);/q;+1/p-1
InChIKeyMZEBKTIGHIILQX-UHFFFAOYSA-M
MW188.12 g/mol
LogP-3.14
Rot. Bonds3

About sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate

sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate (PubChem CID 42622052) has the molecular formula C6H5N4NaO2 and a molecular weight of 188.12 g/mol. Its IUPAC name is sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate.

Molecular Properties

Compound Namesodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate
PubChem CID42622052
Molecular FormulaC6H5N4NaO2
Molecular Weight188.12 g/mol
Exact Mass188.03
IUPAC Namesodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate
SMILES[H]/N=C(\[O-])c1ccc(NN=O)nc1.[Na+]
InChIInChI=1S/C6H6N4O2.Na/c7-6(11)4-1-2-5(8-3-4)9-10-12;/h1-3H,(H2,7,11)(H,8,9,12);/q;+1/p-1
InChIKeyMZEBKTIGHIILQX-UHFFFAOYSA-M
XLogP-3.14
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 5-3.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate?
The IUPAC name of sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate (CID 42622052) is sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate.
What is the SMILES notation for sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate?
The canonical SMILES for sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate is [H]/N=C(\[O-])c1ccc(NN=O)nc1.[Na+].
What is the InChIKey of sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate?
The InChIKey is MZEBKTIGHIILQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N4O2.Na/c7-6(11)4-1-2-5(8-3-4)9-10-12;/h1-3H,(H2,7,11)(H,8,9,12);/q;+1/p-1.
What are the key properties of sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate?
sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate has a molecular weight of 188.12 g/mol, XLogP of -3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-(2-oxohydrazinyl)pyridine-3-carboximidate is sourced from PubChem (CID 42622052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).