dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate

C84H67BrF12K2N16O26 — CID 158634674

About dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate (PubChem CID 158634674) has the molecular formula C84H67BrF12K2N16O26 and a molecular weight of 2102.62 g/mol. Its IUPAC name is dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate
• PubChem CID: 158634674
• Molecular Formula: C84H67BrF12K2N16O26
• Molecular Weight: 2102.62 g/mol
• Exact Mass: 2100.27
• IUPAC Name: dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate
• SMILES: C.CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)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(C2=CCc3ncccc32)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/C24H15F3N6O5.C16H18N4O3.C15H11F3N2O5.C13H7F3N2O5.C7H4BrF3.C7H6N2O5.CH2O3.CH4.2K.H/c25-17-6-12(7-18(26)21(17)27)10-32-11-13(33(36)37)8-16(24(32)35)22(34)29-9-20-30-23(38-31-20)15-3-4-19-14(15)2-1-5-28-19;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12;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;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;;;;/h1-3,5-8,11H,4,9-10H2,(H,29,34);4-6,8H,7,9H2,1-3H3,(H,18,21);3-5,7H,2,6H2,1H3;1-3,5H,4H2,(H,20,21);1-2H,3H2;2-3H,1H3,(H,8,10);1,3H;1H4;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: LVKSNUTXEBZRFY-UHFFFAOYSA-M
• XLogP: 5.97
• TPSA: 581.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.62
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	4
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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate (CID 158634674) is dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate is C.CC(C)(C)OC(=O)NCc1noc(C2=CCc3ncccc32)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(C2=CCc3ncccc32)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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate?

The InChIKey is LVKSNUTXEBZRFY-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H15F3N6O5.C16H18N4O3.C15H11F3N2O5.C13H7F3N2O5.C7H4BrF3.C7H6N2O5.CH2O3.CH4.2K.H/c25-17-6-12(7-18(26)21(17)27)10-32-11-13(33(36)37)8-16(24(32)35)22(34)29-9-20-30-23(38-31-20)15-3-4-19-14(15)2-1-5-28-19;1-16(2,3)22-15(21)18-9-13-19-14(23-20-13)11-6-7-12-10(11)5-4-8-17-12;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;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;;;;/h1-3,5-8,11H,4,9-10H2,(H,29,34);4-6,8H,7,9H2,1-3H3,(H,18,21);3-5,7H,2,6H2,1H3;1-3,5H,4H2,(H,20,21);1-2H,3H2;2-3H,1H3,(H,8,10);1,3H;1H4;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate has a molecular weight of 2102.62 g/mol, XLogP of 5.97, 23 rotatable bonds, 4 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-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methane;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate is sourced from PubChem (CID 158634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).