1H-Pyrrolo(2,3-b)pyridine

C7H6N2CAS 271-63-6118.14 g/mol

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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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

9 names
  • 1H-Pyrrolo[2,3-B]pyridine
  • 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-Pyrazolo(3,4-b)pyridine271-73-848 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-445 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine866319-00-845 % similar 5-Chloro-7-azaindole866546-07-845 % similar 1H-Pyrrolo[3,2-b]pyridine272-49-145 % similar Imidazo[4,5-b]pyridine273-21-245 % similar 1,8-Naphthyridine254-60-444 % 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-Methylpyridine-2-carbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methylpyridine-2-carbonitrile20970-75-6

Elsewhere

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