dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

C37H36BCl5K2N8O5 — CID 158842936

About dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate

dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 158842936) has the molecular formula C37H36BCl5K2N8O5 and a molecular weight of 939.02 g/mol. Its IUPAC name is dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• PubChem CID: 158842936
• Molecular Formula: C37H36BCl5K2N8O5
• Molecular Weight: 939.02 g/mol
• Exact Mass: 936.06
• IUPAC Name: dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• SMILES: CC(Cl)Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[C-]#[N+]c1cc2c(Cl)cccc2nc1-c1cnn(C)c1.[C-]#[N+]c1cc2c(Cl)cccc2nc1Cl.[H-].[K+].[K+]
• InChI: InChI=1S/C14H9ClN4.C10H17BN2O2.C10H4Cl2N2.C2H4Cl2.CH2O3.2K.H/c1-16-13-6-10-11(15)4-3-5-12(10)18-14(13)9-7-17-19(2)8-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-13-9-5-6-7(11)3-2-4-8(6)14-10(9)12;1-2(3)4;2-1-4-3;;;/h3-8H,2H3;6-7H,1-5H3;2-5H;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: YPVHNMAJRCPOLG-UHFFFAOYSA-M
• XLogP: 3.02
• TPSA: 137.96 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.02
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The IUPAC name of dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 158842936) is dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;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;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The canonical SMILES for dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is CC(Cl)Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=CO[O-].[C-]#[N+]c1cc2c(Cl)cccc2nc1-c1cnn(C)c1.[C-]#[N+]c1cc2c(Cl)cccc2nc1Cl.[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

The InChIKey is YPVHNMAJRCPOLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9ClN4.C10H17BN2O2.C10H4Cl2N2.C2H4Cl2.CH2O3.2K.H/c1-16-13-6-10-11(15)4-3-5-12(10)18-14(13)9-7-17-19(2)8-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-13-9-5-6-7(11)3-2-4-8(6)14-10(9)12;1-2(3)4;2-1-4-3;;;/h3-8H,2H3;6-7H,1-5H3;2-5H;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate?

dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate has a molecular weight of 939.02 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-chloro-3-isocyano-2-(1-methylpyrazol-4-yl)quinoline;1,1-dichloroethane;2,5-dichloro-3-isocyanoquinoline;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate is sourced from PubChem (CID 158842936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).