dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

C38H44BCl4K2N5O5S — CID 157385106

About dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 157385106) has the molecular formula C38H44BCl4K2N5O5S and a molecular weight of 913.69 g/mol. Its IUPAC name is dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

Molecular Properties

• Compound Name: dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• PubChem CID: 157385106
• Molecular Formula: C38H44BCl4K2N5O5S
• Molecular Weight: 913.69 g/mol
• Exact Mass: 911.12
• IUPAC Name: dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• SMILES: CC(Cl)Cl.Cc1cc2ccc(C)c(Cl)c2cn1.Cc1ncc(-c2cc3ccc(C)c(Cl)c3cn2)s1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C14H11ClN2S.C11H10ClN.C10H17BN2O2.C2H4Cl2.CH2O3.2K.H/c1-8-3-4-10-5-12(13-7-16-9(2)18-13)17-6-11(10)14(8)15;1-7-3-4-9-5-8(2)13-6-10(9)11(7)12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-2(3)4;2-1-4-3;;;/h3-7H,1-2H3;3-6H,1-2H3;6-7H,1-5H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: OTSIAZZXTTXEDJ-UHFFFAOYSA-M
• XLogP: 3.22
• TPSA: 124.31 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.69
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The IUPAC name of dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 157385106) is dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

What is the SMILES notation for dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The canonical SMILES for dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is CC(Cl)Cl.Cc1cc2ccc(C)c(Cl)c2cn1.Cc1ncc(-c2cc3ccc(C)c(Cl)c3cn2)s1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The InChIKey is OTSIAZZXTTXEDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClN2S.C11H10ClN.C10H17BN2O2.C2H4Cl2.CH2O3.2K.H/c1-8-3-4-10-5-12(13-7-16-9(2)18-13)17-6-11(10)14(8)15;1-7-3-4-9-5-8(2)13-6-10(9)11(7)12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-2(3)4;2-1-4-3;;;/h3-7H,1-2H3;3-6H,1-2H3;6-7H,1-5H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate has a molecular weight of 913.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;8-chloro-3,7-dimethylisoquinoline;5-(8-chloro-7-methylisoquinolin-3-yl)-2-methyl-1,3-thiazole;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is sourced from PubChem (CID 157385106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).