1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile

C8H5N3CAS 517918-95-5143.15 g/mol

Open in Covalent MOL file
HNNN
Nitrile

Properties

Molecular formula
C8H5N3
Molar mass
143.15 g/mol
Exact mass
143.0483 Da
logP
1.43Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
517918-95-5
SMILES
C1=CNC2=NC=C(C=C21)C#N
InChIKey
DRAQIXNADYAISI-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,5H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-B]pyridine-5-carbonitrile

Work with 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile

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

Indole-5-carbonitrile15861-24-253 % similar 3-Quinolinecarbonitrile34846-64-553 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-450 % similar 5-Fluoro-1H-pyrrolo[2,3-B]pyridine866319-00-850 % similar 5-Chloro-7-azaindole866546-07-850 % similar 1H-Indole-6-carbonitrile15861-36-649 % similar 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-846 % similar 2-Fluoropyridine-5-carbonitrile3939-12-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile146767-63-7 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-5 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-3 7-Azaindole-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 1H-Indazole-5-carbonitrile74626-47-4 1H-Indazole-4-carbonitrile861340-10-5

Elsewhere

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