dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate

C81H61BrF12K2N18O26 — CID 160523569

About dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate

dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate (PubChem CID 160523569) has the molecular formula C81H61BrF12K2N18O26 and a molecular weight of 2088.55 g/mol. Its IUPAC name is dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate
• PubChem CID: 160523569
• Molecular Formula: C81H61BrF12K2N18O26
• Molecular Weight: 2088.55 g/mol
• Exact Mass: 2086.23
• IUPAC Name: dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate
• SMILES: CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.CCOC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.COC(=O)c1cc([N+](=O)[O-])c[nH]c1=O.Fc1cc(CBr)cc(F)c1F.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.O=C(O)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H14F3N7O5.C15H11F3N2O5.C15H17N5O3.C13H7F3N2O5.C7H4BrF3.C7H6N2O5.CH2O3.2K.H/c24-16-4-11(5-17(25)19(16)26)9-32-10-12(33(36)37)6-14(23(32)35)21(34)29-8-18-30-22(38-31-18)15-7-28-20-13(15)2-1-3-27-20;1-2-25-15(22)10-5-9(20(23)24)7-19(14(10)21)6-8-3-11(16)13(18)12(17)4-8;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;14-9-1-6(2-10(15)11(9)16)4-17-5-7(18(22)23)3-8(12(17)19)13(20)21;8-3-4-1-5(9)7(11)6(10)2-4;1-14-7(11)5-2-4(9(12)13)3-8-6(5)10;2-1-4-3;;;/h1-7,10H,8-9H2,(H,27,28)(H,29,34);3-5,7H,2,6H2,1H3;4-7H,8H2,1-3H3,(H,16,17)(H,18,21);1-3,5H,4H2,(H,20,21);1-2H,3H2;2-3H,1H3,(H,8,10);1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: DIVMQDQSOVCTST-UHFFFAOYSA-M
• XLogP: 5.66
• TPSA: 613.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.55
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate?

The IUPAC name of dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate (CID 160523569) is dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate.

What is the SMILES notation for dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate?

The canonical SMILES for dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate is CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.CCOC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.COC(=O)c1cc([N+](=O)[O-])c[nH]c1=O.Fc1cc(CBr)cc(F)c1F.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.O=C(O)c1cc([N+](=O)[O-])cn(Cc2cc(F)c(F)c(F)c2)c1=O.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate?

The InChIKey is DIVMQDQSOVCTST-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H14F3N7O5.C15H11F3N2O5.C15H17N5O3.C13H7F3N2O5.C7H4BrF3.C7H6N2O5.CH2O3.2K.H/c24-16-4-11(5-17(25)19(16)26)9-32-10-12(33(36)37)6-14(23(32)35)21(34)29-8-18-30-22(38-31-18)15-7-28-20-13(15)2-1-3-27-20;1-2-25-15(22)10-5-9(20(23)24)7-19(14(10)21)6-8-3-11(16)13(18)12(17)4-8;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;14-9-1-6(2-10(15)11(9)16)4-17-5-7(18(22)23)3-8(12(17)19)13(20)21;8-3-4-1-5(9)7(11)6(10)2-4;1-14-7(11)5-2-4(9(12)13)3-8-6(5)10;2-1-4-3;;;/h1-7,10H,8-9H2,(H,27,28)(H,29,34);3-5,7H,2,6H2,1H3;4-7H,8H2,1-3H3,(H,16,17)(H,18,21);1-3,5H,4H2,(H,20,21);1-2H,3H2;2-3H,1H3,(H,8,10);1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate?

dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate has a molecular weight of 2088.55 g/mol, XLogP of 5.66, 23 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate is sourced from PubChem (CID 160523569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).