chempirical

5-Bromo-1H-pyrrolo[2,3-B]pyridine

C7H5BrN2CAS 183208-35-7197.03 g/mol

Open in Covalent MOL file
BrNHN
Aryl halide

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
Melting point
174–176 °C
logP
2.28Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
183208-35-7
SMILES
Brc1c[nH]c2nccc-2c1
InChIKey
LPTVWZSQAIDCEB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-
  • 5-Bromo-7-azaindole

Work with 5-Bromo-1H-pyrrolo[2,3-B]pyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Pyrrolo[2,3-B]pyridin-5-ol98549-88-355 % similar B-1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid944059-24-950 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid754214-42-146 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-240 % similar Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-B]pyridin-5-yloxy)-, 1,1-dimethylethyl ester1628047-84-640 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-738 % similar 2-Amino-5-bromopyridine1072-97-538 % similar 4-Bromo-2-fluoropyridine128071-98-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo[1,5-A]pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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