chempirical

3-Methyl-1H-pyrrolo[2,3-B]pyridine

C8H8N2CAS 5654-93-3132.17 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C8H8N2
Molar mass
132.17 g/mol
Exact mass
132.0687 Da
Melting point
130.5–133 °C
logP
1.87Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
5654-93-3
SMILES
Cc1c[nH]c2ncccc12
InChIKey
PKZDPOGLGBWEGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-5-10-8-7(6)3-2-4-9-8/h2-5H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Pyrrolo[2,3-b]pyridine, 3-methyl-
  • 7-Azaskatole
  • 3-Methylpyrrolo[2,3-b]pyridine
  • 3-Methyl-7-azaindole

Work with 3-Methyl-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]pyridine-3-carbonitrile4414-89-551 % similar 5-Bromo-3-methyl-7-azaindole1111637-94-549 % similar Skatole83-34-148 % similar 4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine688782-02-747 % similar 2,3-Lutidine583-61-942 % similar 5-Methyl-1,10-phenanthroline3002-78-642 % similar 9H-Pyrido[2,3-B]indole244-76-841 % similar 2-Fluoro-3-methylpyridine2369-18-841 % similar

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

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 2-Amino-4-methylbenzonitrile26830-96-6 2-Aminobenzeneacetonitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 4-Aminobenzeneacetonitrile3544-25-0 5-Aminoindole5192-03-0 5-Methylbenzimidazole614-97-1

Elsewhere

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