potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide

C18H15Cl3KN8O4- — CID 163512706

IUPACpotassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide
SMILESClCc1ccc(Cl)nc1.N#CC(=NOCc1ccc(Cl)nc1)C(N)=O.N#CC(=[N-])C(N)=O.[K+].[OH-]
InChIInChI=1S/C9H7ClN4O2.C6H5Cl2N.C3H2N3O.K.H2O/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15;7-3-5-1-2-6(8)9-4-5;4-1-2(5)3(6)7;;/h1-2,4H,5H2,(H2,12,15);1-2,4H,3H2;(H2,6,7);;1H2/q;;-1;+1;/p-1
InChIKeyNGKTZMICMNWNCB-UHFFFAOYSA-M
MW552.83 g/mol
LogP-1.08
Rot. Bonds6

About potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide

potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide (PubChem CID 163512706) has the molecular formula C18H15Cl3KN8O4- and a molecular weight of 552.83 g/mol. Its IUPAC name is potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide.

Molecular Properties

Compound Namepotassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide
PubChem CID163512706
Molecular FormulaC18H15Cl3KN8O4-
Molecular Weight552.83 g/mol
Exact Mass550.99
IUPAC Namepotassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide
SMILESClCc1ccc(Cl)nc1.N#CC(=NOCc1ccc(Cl)nc1)C(N)=O.N#CC(=[N-])C(N)=O.[K+].[OH-]
InChIInChI=1S/C9H7ClN4O2.C6H5Cl2N.C3H2N3O.K.H2O/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15;7-3-5-1-2-6(8)9-4-5;4-1-2(5)3(6)7;;/h1-2,4H,5H2,(H2,12,15);1-2,4H,3H2;(H2,6,7);;1H2/q;;-1;+1;/p-1
InChIKeyNGKTZMICMNWNCB-UHFFFAOYSA-M
XLogP-1.08
TPSA233.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.83
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(chloromethyl)pyridine;(E)-N-[(6-chloro-3-pyridinyl)methoxy]-1-phenylethanimine
CID 172923151
(6-chloro-3-pyridinyl)methyl cyanate
CID 171428640
2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide
CID 146298754
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-amino-2-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methoxy]ethanimidoyl cyanide
CID 153391029
ethyl (E)-3-amino-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyanoprop-2-enoate
CID 6511667
(6-chloro-3-pyridinyl)methyl N-(2,2,2-trichloroacetyl)carbamate
CID 56976750
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
2-chloro-5-(chloromethyl)pyridine;pyridine
CID 90098666

Frequently Asked Questions

What is the IUPAC name of potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide?
The IUPAC name of potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide (CID 163512706) is potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide.
What is the SMILES notation for potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide?
The canonical SMILES for potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide is ClCc1ccc(Cl)nc1.N#CC(=NOCc1ccc(Cl)nc1)C(N)=O.N#CC(=[N-])C(N)=O.[K+].[OH-].
What is the InChIKey of potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide?
The InChIKey is NGKTZMICMNWNCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7ClN4O2.C6H5Cl2N.C3H2N3O.K.H2O/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15;7-3-5-1-2-6(8)9-4-5;4-1-2(5)3(6)7;;/h1-2,4H,5H2,(H2,12,15);1-2,4H,3H2;(H2,6,7);;1H2/q;;-1;+1;/p-1.
What are the key properties of potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide?
potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide has a molecular weight of 552.83 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide is sourced from PubChem (CID 163512706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).