potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile

C21H15KN8O2 — CID 172921830

IUPACpotassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile
SMILESN#C/C(=N\O)c1ccccn1.N#C/C(=N\[O-])c1ccccn1.N#CCc1ccccn1.[K+]
InChIInChI=1S/2C7H5N3O.C7H6N2.K/c2*8-5-7(10-11)6-3-1-2-4-9-6;8-5-4-7-3-1-2-6-9-7;/h2*1-4,11H;1-3,6H,4H2;/q;;;+1/p-1/b2*10-7+;;
InChIKeySJFBPFNWOZYHKT-DYYZIBHKSA-M
MW450.50 g/mol
LogP-0.17
Rot. Bonds3

About potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile

potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile (PubChem CID 172921830) has the molecular formula C21H15KN8O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Namepotassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile
PubChem CID172921830
Molecular FormulaC21H15KN8O2
Molecular Weight450.50 g/mol
Exact Mass450.10
IUPAC Namepotassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile
SMILESN#C/C(=N\O)c1ccccn1.N#C/C(=N\[O-])c1ccccn1.N#CCc1ccccn1.[K+]
InChIInChI=1S/2C7H5N3O.C7H6N2.K/c2*8-5-7(10-11)6-3-1-2-4-9-6;8-5-4-7-3-1-2-6-9-7;/h2*1-4,11H;1-3,6H,4H2;/q;;;+1/p-1/b2*10-7+;;
InChIKeySJFBPFNWOZYHKT-DYYZIBHKSA-M
XLogP-0.17
TPSA178.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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

2-pyridin-2-ylacetonitrile;1-pyridin-2-ylcyclopropane-1-carbonitrile
CID 158344901
4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4092858
3-pyridin-2-ylbut-3-enenitrile
CID 14046525
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
1-hydroxy-3-oxo-N-(pyridin-2-ylmethyl)indene-2-carboximidoyl cyanide
CID 135438579
(2E)-N-(1H-pyrazol-5-ylamino)pyridine-2-carboximidoyl cyanide
CID 10954852
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
CID 82561469
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
oxido(pyridin-2-ylmethyl)azanium
CID 87207811

Frequently Asked Questions

What is the IUPAC name of potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile?
The IUPAC name of potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile (CID 172921830) is potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile.
What is the SMILES notation for potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile?
The canonical SMILES for potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile is N#C/C(=N\O)c1ccccn1.N#C/C(=N\[O-])c1ccccn1.N#CCc1ccccn1.[K+].
What is the InChIKey of potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile?
The InChIKey is SJFBPFNWOZYHKT-DYYZIBHKSA-M. The full InChI is InChI=1S/2C7H5N3O.C7H6N2.K/c2*8-5-7(10-11)6-3-1-2-4-9-6;8-5-4-7-3-1-2-6-9-7;/h2*1-4,11H;1-3,6H,4H2;/q;;;+1/p-1/b2*10-7+;;.
What are the key properties of potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile?
potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile has a molecular weight of 450.50 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2Z)-2-hydroxyimino-2-pyridin-2-ylacetonitrile;(2Z)-N-oxidopyridine-2-carboximidoyl cyanide;2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 172921830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).