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

C37H38BCl5F4K2N6O5 — CID 158421347

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

dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (PubChem CID 158421347) has the molecular formula C37H38BCl5F4K2N6O5 and a molecular weight of 989.01 g/mol. Its IUPAC name is dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate
• PubChem CID: 158421347
• Molecular Formula: C37H38BCl5F4K2N6O5
• Molecular Weight: 989.01 g/mol
• Exact Mass: 986.06
• IUPAC Name: dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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.Cn1cc(-c2nc3cccc(Cl)c3cc2C(F)F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)c1cc2c(Cl)cccc2nc1Cl.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C14H10ClF2N3.C10H17BN2O2.C10H5Cl2F2N.C2H4Cl2.CH2O3.2K.H/c1-20-7-8(6-18-20)13-10(14(16)17)5-9-11(15)3-2-4-12(9)19-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;11-7-2-1-3-8-5(7)4-6(10(13)14)9(12)15-8;1-2(3)4;2-1-4-3;;;/h2-7,14H,1H3;6-7H,1-5H3;1-4,10H;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: PZUPVNXIRRCDJO-UHFFFAOYSA-M
• XLogP: 3.79
• TPSA: 129.24 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.01
LogP ≤ 5	3.79
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;1,1-dichloroethane;hydride;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;oxido formate (CID 158421347) is dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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.Cn1cc(-c2nc3cccc(Cl)c3cc2C(F)F)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)c1cc2c(Cl)cccc2nc1Cl.O=CO[O-].[H-].[K+].[K+].

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

The InChIKey is PZUPVNXIRRCDJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10ClF2N3.C10H17BN2O2.C10H5Cl2F2N.C2H4Cl2.CH2O3.2K.H/c1-20-7-8(6-18-20)13-10(14(16)17)5-9-11(15)3-2-4-12(9)19-13;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;11-7-2-1-3-8-5(7)4-6(10(13)14)9(12)15-8;1-2(3)4;2-1-4-3;;;/h2-7,14H,1H3;6-7H,1-5H3;1-4,10H;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

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

dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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 989.01 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-chloro-3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinoline;2,5-dichloro-3-(difluoromethyl)quinoline;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 158421347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).