structure of 2-{1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid

2-{1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid

CAS No.: 1000545-78-7
M. Wt: 176.17
M. Fa: C9H8N2O2
InChI Key: PXTUIYOFXJVDEL-UHFFFAOYSA-N

Names and Identifiers of 1000545-78-7

CAS Number

1000545-78-7

MDL Number

MFCD09925168

IUPAC Name

2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid

InChI

InChI=1S/C9H8N2O2/c12-8(13)4-6-3-7-1-2-10-9(7)11-5-6/h1-3,5H,4H2,(H,10,11)(H,12,13)

InChIKey

PXTUIYOFXJVDEL-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=NC=C(C=C21)CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000545-78-7

H Bond Acceptors

3

H Bond Donors

2

LogP

0.317830781222293

Molecular Formula

C9H8N2O2

Molecular Weight

176.17

Safety Information of 1000545-78-7

Pictograms

Signal Word

 Warning

Safety Data Sheet
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