chempirical

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

C7H6N2CAS 272-49-1118.14 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
127–128 °C
logP
1.56Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
272-49-1
SMILES
c1cnc2cc[nH]c2c1
InChIKey
XWIYUCRMWCHYJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H

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Names and synonyms

2 names
  • 1,4-Diazaindene
  • 4-Azaindole

Work with 1H-Pyrrolo[3,2-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

1,5-Naphthyridine254-79-548 % similar 1H-Pyrrolo[2,3-B]pyridine271-63-645 % similar 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-444 % similar 6-Bromo-1H-pyrrolo[3,2-B]pyridine944937-53-544 % similar Pyrido[2,3-B]pyrazine322-46-341 % similar 2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-841 % similar 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-041 % similar Imidazo[4,5-B]pyridine273-21-240 % 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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