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 Name | 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 |
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| PubChem CID | 163512706 |
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| Molecular Formula | C18H15Cl3KN8O4- |
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| Molecular Weight | 552.83 g/mol |
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| Exact Mass | 550.99 |
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| IUPAC Name | 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 |
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| SMILES | ClCc1ccc(Cl)nc1.N#CC(=NOCc1ccc(Cl)nc1)C(N)=O.N#CC(=[N-])C(N)=O.[K+].[OH-] |
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| InChI | 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 |
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| InChIKey | NGKTZMICMNWNCB-UHFFFAOYSA-M |
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| XLogP | -1.08 |
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| TPSA | 233.43 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 552.83 |
| LogP ≤ 5 | -1.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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'} |
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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).