dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C108H156B4BrCl2F5K2N10O25 — CID 158187099

About dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158187099) has the molecular formula C108H156B4BrCl2F5K2N10O25 and a molecular weight of 2362.73 g/mol. Its IUPAC name is dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158187099
• Molecular Formula: C108H156B4BrCl2F5K2N10O25
• Molecular Weight: 2362.73 g/mol
• Exact Mass: 2359.94
• IUPAC Name: dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C.C.CC#N.CC(C)(C)OC(=O)NCc1ccc(Cl)c(F)c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1cc(-c2ccc(CN)cc2F)ccc1=O.Cn1cc(-c2ccc(CNC(=O)OC(C)(C)C)cc2F)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Cn1cc(Br)ccc1=O.NCc1ccc(Cl)c(F)c1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C18H21FN2O3.C13H13FN2O.C12H24B2O4.2C12H18BNO3.C12H15ClFNO2.C10H18O5.C7H7ClFN.C6H6BrNO.C2H3N.CH3F.CH2O3.2CH4.2K.H/c1-18(2,3)24-17(23)20-10-12-5-7-14(15(19)9-12)13-6-8-16(22)21(4)11-13;1-16-8-10(3-5-13(16)17)11-4-2-9(7-15)6-12(11)14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;1-12(2,3)17-11(16)15-7-8-4-5-9(13)10(14)6-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-2-1-5(4-10)3-7(6)9;1-8-4-5(7)2-3-6(8)9;1-2-3;1-2;2-1-4-3;;;;;/h5-9,11H,10H2,1-4H3,(H,20,23);2-6,8H,7,15H2,1H3;1-8H3;2*6-8H,1-5H3;4-6H,7H2,1-3H3,(H,15,16);1-6H3;1-3H,4,10H2;2-4H,1H3;1H3;1H3;1,3H;2*1H4;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;;;;1D
• InChIKey: BBCWYRBERFAYBB-OKVMFGJDSA-M
• XLogP: 12.89
• TPSA: 447.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2362.73
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158187099) is dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC#N.CC(C)(C)OC(=O)NCc1ccc(Cl)c(F)c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1cc(-c2ccc(CN)cc2F)ccc1=O.Cn1cc(-c2ccc(CNC(=O)OC(C)(C)C)cc2F)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Cn1cc(Br)ccc1=O.NCc1ccc(Cl)c(F)c1.O=CO[O-].[2H]CF.[H-].[K+].[K+].

What is the InChIKey of dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BBCWYRBERFAYBB-OKVMFGJDSA-M. The full InChI is InChI=1S/C18H21FN2O3.C13H13FN2O.C12H24B2O4.2C12H18BNO3.C12H15ClFNO2.C10H18O5.C7H7ClFN.C6H6BrNO.C2H3N.CH3F.CH2O3.2CH4.2K.H/c1-18(2,3)24-17(23)20-10-12-5-7-14(15(19)9-12)13-6-8-16(22)21(4)11-13;1-16-8-10(3-5-13(16)17)11-4-2-9(7-15)6-12(11)14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;1-12(2,3)17-11(16)15-7-8-4-5-9(13)10(14)6-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-6-2-1-5(4-10)3-7(6)9;1-8-4-5(7)2-3-6(8)9;1-2-3;1-2;2-1-4-3;;;;;/h5-9,11H,10H2,1-4H3,(H,20,23);2-6,8H,7,15H2,1H3;1-8H3;2*6-8H,1-5H3;4-6H,7H2,1-3H3,(H,15,16);1-6H3;1-3H,4,10H2;2-4H,1H3;1H3;1H3;1,3H;2*1H4;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1/i;;;;;;;;;;1D;;;;;;.

What are the key properties of dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2362.73 g/mol, XLogP of 12.89, 12 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;acetonitrile;5-[4-(aminomethyl)-2-fluorophenyl]-1-methylpyridin-2-one;5-bromo-1-methylpyridin-2-one;tert-butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;tert-butyl N-[[3-fluoro-4-(1-methyl-6-oxo-3-pyridinyl)phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4-chloro-3-fluorophenyl)methanamine;deuterio(fluoro)methane;hydride;methane;bis(1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);oxido formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158187099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).