Name: Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-bromo-4-hydroxy-
Brand: Angene
SKU: AG002CZR
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-bromo-4-hydroxy-

CAS No.:

2007919-12-0

Catalog Number:

AG002CZR

Molecular Formula:

C8H5BrN2O3

Molecular Weight:

257.0409

Catalog Number:

AG002CZR

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-bromo-4-hydroxy-

CAS Number:

2007919-12-0

Molecular Formula:

C8H5BrN2O3

Molecular Weight:

257.0409

MDL Number:

MFCD30471636

IUPAC Name:

5-bromo-4-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-3-carboxylic acid

InChI:

InChI=1S/C8H5BrN2O3/c9-4-2-11-7-5(6(4)12)3(1-10-7)8(13)14/h1-2H,(H,13,14)(H2,10,11,12)

InChI Key:

PCAPAGSKCXAKIE-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]c2c1c(O)c(cn2)Br

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.948g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.043g/mol

Monoisotopic Mass:

255.948g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1