1H-Pyrrolo[3,2-b]pyridine-5-carbonitrile

C₈H₅N₃CAS 146767-63-7143.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅N₃
Molar mass: 143.15 g/mol
Exact mass: 143.0483 Da
logP: 1.43Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

146767-63-7

SMILES

C1=CC2=C(C=CN2)N=C1C#N

InChIKey

YSSSUMUGHHKGCO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5N3/c9-5-6-1-2-7-8(11-6)3-4-10-7/h1-4,10H

Weigh it out

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

Names and synonyms

1 names

1H-Pyrrolo[3,2-B]pyridine-5-carbonitrile(9ci)

Work with 1H-Pyrrolo[3,2-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

5-Bromo-4-azaindole1000341-51-448 % similar 2-Quinolinecarbonitrile1436-43-748 % similar 2,6-Pyridinedicarbonitrile2893-33-643 % similar Indole-5-carbonitrile15861-24-242 % similar 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid872355-64-141 % similar 6,6'-Dicyano-2,2'-bipyridyl4411-83-039 % similar 2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-839 % similar 1H-Pyrrolo[3,2-b]pyridine272-49-138 % similar

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

Same formula

1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-5 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-3 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 1H-Indazole-5-carbonitrile74626-47-4 1H-Indazole-4-carbonitrile861340-10-5

Elsewhere

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