potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride

C94H79BCl3F3KN21O13 — CID 161282594

About potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride

potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride (PubChem CID 161282594) has the molecular formula C94H79BCl3F3KN21O13 and a molecular weight of 1924.06 g/mol. Its IUPAC name is potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride.

Molecular Properties

• Compound Name: potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride
• PubChem CID: 161282594
• Molecular Formula: C94H79BCl3F3KN21O13
• Molecular Weight: 1924.06 g/mol
• Exact Mass: 1921.49
• IUPAC Name: potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride
• SMILES: C=CB(F)F.C=Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.CCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cl.Clc1cc2c(cn1)CNC2.O=C(Cc1nc(-c2cccnc2)ccc1[N+](=O)[O-])N1Cc2cnc(Cl)cc2C1.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2cccnc2)ccc1[N+](=O)[O-].[F-].[K+]
• InChI: InChI=1S/C24H16N4O6.C21H17N5O3.C21H21N5O.C19H14ClN5O3.C7H7ClN2.C2H3BF2.ClH.FH.K/c29-23(33-18-9-3-1-4-10-18)27(24(30)34-19-11-5-2-6-12-19)22-21(28(31)32)14-13-20(26-22)17-8-7-15-25-16-17;1-2-17-8-15-12-25(13-16(15)11-23-17)21(27)9-19-20(26(28)29)6-5-18(24-19)14-4-3-7-22-10-14;1-2-17-8-15-12-26(13-16(15)11-24-17)21(27)9-20-18(22)5-6-19(25-20)14-4-3-7-23-10-14;20-18-6-13-10-24(11-14(13)9-22-18)19(26)7-16-17(25(27)28)4-3-15(23-16)12-2-1-5-21-8-12;8-7-1-5-2-9-3-6(5)4-10-7;1-2-3(4)5;;;/h1-16H;2-8,10-11H,1,9,12-13H2;3-8,10-11H,2,9,12-13,22H2,1H3;1-6,8-9H,7,10-11H2;1,4,9H,2-3H2;2H,1H2;2*1H;/q;;;;;;;;+1/p-1
• InChIKey: INQFKRIDXCGWLT-UHFFFAOYSA-M
• XLogP: 11.29
• TPSA: 438.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.06
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride?

The IUPAC name of potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride (CID 161282594) is potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride.

What is the SMILES notation for potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride?

The canonical SMILES for potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride is C=CB(F)F.C=Cc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.CCc1cc2c(cn1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cl.Clc1cc2c(cn1)CNC2.O=C(Cc1nc(-c2cccnc2)ccc1[N+](=O)[O-])N1Cc2cnc(Cl)cc2C1.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2cccnc2)ccc1[N+](=O)[O-].[F-].[K+].

What is the InChIKey of potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride?

The InChIKey is INQFKRIDXCGWLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16N4O6.C21H17N5O3.C21H21N5O.C19H14ClN5O3.C7H7ClN2.C2H3BF2.ClH.FH.K/c29-23(33-18-9-3-1-4-10-18)27(24(30)34-19-11-5-2-6-12-19)22-21(28(31)32)14-13-20(26-22)17-8-7-15-25-16-17;1-2-17-8-15-12-25(13-16(15)11-23-17)21(27)9-19-20(26(28)29)6-5-18(24-19)14-4-3-7-22-10-14;1-2-17-8-15-12-26(13-16(15)11-24-17)21(27)9-20-18(22)5-6-19(25-20)14-4-3-7-23-10-14;20-18-6-13-10-24(11-14(13)9-22-18)19(26)7-16-17(25(27)28)4-3-15(23-16)12-2-1-5-21-8-12;8-7-1-5-2-9-3-6(5)4-10-7;1-2-3(4)5;;;/h1-16H;2-8,10-11H,1,9,12-13H2;3-8,10-11H,2,9,12-13,22H2,1H3;1-6,8-9H,7,10-11H2;1,4,9H,2-3H2;2H,1H2;2*1H;/q;;;;;;;;+1/p-1.

What are the key properties of potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride?

potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride has a molecular weight of 1924.06 g/mol, XLogP of 11.29, 19 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;6-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;1-(6-chloro-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;ethenyl(difluoro)borane;1-(6-ethenyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate;fluoride;hydrochloride is sourced from PubChem (CID 161282594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).