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

C₈H₅N₃CAS 4414-89-5143.15 g/mol

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Properties

Molecular formula: C₈H₅N₃
Molar mass: 143.15 g/mol
Exact mass: 143.0483 Da
Melting point: 262–265 °C
logP: 1.43Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

4414-89-5

SMILES

N#Cc1c[nH]c2ncccc12

InChIKey

MUCWDACENIACBH-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

3-Cyano-7-azaindole

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

3-Methyl-1H-pyrrolo[2,3-B]pyridine5654-93-351 % similar 3-Cyano-2-pyridone20577-27-944 % similar 2-Fluoro-3-pyridinecarbonitrile3939-13-744 % similar 2-Chloro-3-cyanopyridine6602-54-644 % similar 9H-Pyrido[2,3-B]indole244-76-842 % similar 2-Methoxy-3-pyridinecarbonitrile7254-34-441 % similar 2-Phenoxy-3-pyridinecarbonitrile14178-15-540 % similar α-Amino-1H-pyrrolo[2,3-B]pyridine-3-propanoic acid7303-50-639 % 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-Indazole-3-carbonitrile50264-88-5 4-Amino-1,2-benzenedicarbonitrile56765-79-8 3-Ethynylimidazo[1,2-B]pyridazine943320-61-4

Elsewhere

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