Name: Name:3-Methyl-5-nitroisoquinoline
Brand: AABLOCKS
SKU: AA0023FD
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0023FD

Chemical Name: 3-Methyl-5-nitroisoquinoline

CAS Number: 18222-17-8

Molecular Formula: C10H8N2O2

Molecular Weight: 188.1827

MDL Number: MFCD11110422

SMILES: Cc1ncc2c(c1)c(ccc2)[N+](=O)[O-]

NSC Number: 121332

Properties

Complexity: 227

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.3

Downstream Synthesis Route

1125-80-0

18222-17-8

58142-47-5

[1]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]Bergstrom;Paterson[JournalofOrganicChemistry,1945,vol.10,p.479,480]

[2]CurrentPatentAssignee:MERCK&COINC-WO2004/46133,2004,A1Locationinpatent:Page23

18222-17-8

54410-17-2

[1]CurrentPatentAssignee:EVOTECAG-US2006/194801,2006,A1Locationinpatent:Page/Pagecolumn53

[2]CurrentPatentAssignee:EVOTECAG-US2006/205773,2006,A1Locationinpatent:Page/Pagecolumn29

[3]Perner,RichardJ.;DiDomenico,Stanley;Koenig,JohnR.;Gomtsyan,Arthur;Bayburt,ErolK.;Schmidt,RobertG.;Drizin,Irene;Guo,ZhuZheng;Turner,SeanC.;Jinkerson,Tammie;Brown,BrianS.;Keddy,RyanG.;Lukin,Kurill;McDonald,HeathA.;Honore,Prisca;Mikusa,Joe;Marsh,KennanC.;Wetter,JillM.;St.George,Karen;Jarvis,MichaelF.;Faltynek,ConnieR.;Lee,Chih-Hung[JournalofMedicinalChemistry,2007,vol.50,#15,p.3651-3660]

[4]CurrentPatentAssignee:ABBVIEINC-WO2010/45401,2010,A1Locationinpatent:Page/Pagecolumn59

[5]CurrentPatentAssignee:ABBVIEINC-WO2010/45402,2010,A1Locationinpatent:Page/Pagecolumn57-58

[6]Bellizzi,MaryE.;Bhatia,AshokV.;Cullen,StevenC.;Gandarilla,Jorge;Kruger,AlbertW.;Welch,DennieS.[OrganicProcessResearchandDevelopment,2014,vol.18,#2,p.303-309]

[7]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]

[8]Bergstrom;Paterson[JournalofOrganicChemistry,1945,vol.10,p.479,480]

[9]CurrentPatentAssignee:MERCK&COINC-WO2004/46133,2004,A1Locationinpatent:Page23-24

[10]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-WO2010/127855,2010,A1Locationinpatent:Page/Pagecolumn139

18222-17-8

102312-47-0

[1]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]

18222-17-8

74-89-5

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