chempirical

1H-Pyrrolo[2,3-B]pyridine

C7H6N2CAS 271-63-6118.14 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Melting point
107 °C
Boiling point
270 °C (at 755 Torr)
logP
1.56Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
271-63-6
SMILES
c1cnc2[nH]ccc2c1
InChIKey
MVXVYAKCVDQRLW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 7-Aza-1-pyrindine
  • 1,7-Diazaindene
  • 7-Azaindole
  • 7H-Pyrrolo[2,3-b]pyridine
  • 1,7-Dideazapurine
  • NSC 67063
  • NSC 77951
  • 1H-Pyrrole[2,3-b]pyridine

Work with 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

1,7-Naphthyridin-8-amine17965-82-152 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-445 % similar 1H-Pyrrolo[3,2-B]pyridine272-49-145 % similar Imidazo[4,5-B]pyridine273-21-245 % similar 1,8-Naphthyridine254-60-444 % similar 1,10-Phenanthroline66-71-742 % similar 6-Methyl-1H-pyrrolo[2,3-B]pyridine824-51-142 % similar 6-Fluoro-1H-pyrrolo[2,3-B]pyridine898746-42-442 % similar

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

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 3-Aminobenzonitrile2237-30-1

Elsewhere

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