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CS-W001157 4
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2-{1h-pyrrolo[3,2-b]pyridin-3-yl}acetonitrile

  • CAS No. 554453-19-9

  • Cat. No. CS-0265399
  • Molecule weight157.17
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-{1h-pyrrolo[3,2-b]pyridin-3-yl}acetonitrile|CS-0265399

Structure of 554453-19-9

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General Information

  • CAS No. 554453-19-9
  • Cat. No. CS-0265399
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃
  • Molecular Weight 157.17
  • Synonym(s) 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile
  • SMILES C1=CC2=C(C(=CN2)CC#N)N=C1

Synthesis

  • Route1
    • null|null
      773837-37-9
    • N,N-Dimethyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanamine|CS-0660160
      23612-34-2
    • ~32%
    • 2-{1h-pyrrolo[3,2-b]pyridin-3-yl}acetonitrile|CS-0265399
      554453-19-9

    References

    • Shultz, Michael D.; Cao, Xueying; Chen, Christine H.; Cho, Young Shin; Davis, Nicole R.; Eckman, Joe; Fan, Jianmei; Fekete, Alex; Firestone, Brant; Flynn, Julie; Green, Jack; Growney, Joseph D.; Holmqvist, Mats; Hsu, Meier; Jansson, Daniel; Jiang, Lei; Kwon, Paul; Liu, Gang; Lombardo, Franco; Lu, Qiang; Majumdar, Dyuti; Meta, Christopher; Perez, Lawrence; Pu, Minying; Ramsey, Tim; Remiszewski, Stacy; Skolnik, Suzanne; Traebert, Martin; Urban, Laszlo; Uttamsingh, Vinita; Wang, Ping; Whitebread, Steven; Whitehead, Lewis; Yan-Neale, Yan; Yao, Yung-Mae; Zhou, Liping; Atadja, Peter Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4752 - 4772
  • Route2

    References

    • Shultz, Michael D.; Cao, Xueying; Chen, Christine H.; Cho, Young Shin; Davis, Nicole R.; Eckman, Joe; Fan, Jianmei; Fekete, Alex; Firestone, Brant; Flynn, Julie; Green, Jack; Growney, Joseph D.; Holmqvist, Mats; Hsu, Meier; Jansson, Daniel; Jiang, Lei; Kwon, Paul; Liu, Gang; Lombardo, Franco; Lu, Qiang; Majumdar, Dyuti; Meta, Christopher; Perez, Lawrence; Pu, Minying; Ramsey, Tim; Remiszewski, Stacy; Skolnik, Suzanne; Traebert, Martin; Urban, Laszlo; Uttamsingh, Vinita; Wang, Ping; Whitebread, Steven; Whitehead, Lewis; Yan-Neale, Yan; Yao, Yung-Mae; Zhou, Liping; Atadja, Peter Journal of Medicinal Chemistry, 2011 , vol. 54, # 13 p. 4752 - 4772

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.62898
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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