potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide

C6H6KN2O2+ — CID 54599635

IUPACpotassium N-hydroxy-1-pyridin-2-ylmethanimine oxide
SMILES[K+].[O-]/[N+](O)=C\c1ccccn1
InChIInChI=1S/C6H6N2O2.K/c9-8(10)5-6-3-1-2-4-7-6;/h1-5H,(H,9,10);/q;+1
InChIKeyRLNXFVLVVHCVRK-UHFFFAOYSA-N
MW177.22 g/mol
LogP-2.60
Rot. Bonds1

About potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide

potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide (PubChem CID 54599635) has the molecular formula C6H6KN2O2+ and a molecular weight of 177.22 g/mol. Its IUPAC name is potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide.

Molecular Properties

Compound Namepotassium N-hydroxy-1-pyridin-2-ylmethanimine oxide
PubChem CID54599635
Molecular FormulaC6H6KN2O2+
Molecular Weight177.22 g/mol
Exact Mass177.01
IUPAC Namepotassium N-hydroxy-1-pyridin-2-ylmethanimine oxide
SMILES[K+].[O-]/[N+](O)=C\c1ccccn1
InChIInChI=1S/C6H6N2O2.K/c9-8(10)5-6-3-1-2-4-7-6;/h1-5H,(H,9,10);/q;+1
InChIKeyRLNXFVLVVHCVRK-UHFFFAOYSA-N
XLogP-2.60
TPSA59.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-1-pyridin-2-ylmethanimine oxide
CID 10750466
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
N-(3-methoxy-2-methyl-3-oxopropyl)-1-pyridin-2-ylmethanimine oxide
CID 134997986
2-ethenylpyridine;hexahydroiodide
CID 70487032
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hydrate
CID 67843107
2-methylpyridine;nitric acid
CID 134537856
CID 59444659
CID 59444659
2-ethenylpyridine;molecular iodine
CID 56841465
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
formaldehyde;pyridine-2-carbaldehyde
CID 161262172

Frequently Asked Questions

What is the IUPAC name of potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide?
The IUPAC name of potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide (CID 54599635) is potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide.
What is the SMILES notation for potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide?
The canonical SMILES for potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide is [K+].[O-]/[N+](O)=C\c1ccccn1.
What is the InChIKey of potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide?
The InChIKey is RLNXFVLVVHCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.K/c9-8(10)5-6-3-1-2-4-7-6;/h1-5H,(H,9,10);/q;+1.
What are the key properties of potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide?
potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide has a molecular weight of 177.22 g/mol, XLogP of -2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-hydroxy-1-pyridin-2-ylmethanimine oxide is sourced from PubChem (CID 54599635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).