4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C₈H₄ClN₃CAS 920966-02-5177.59 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₄ClN₃
Molar mass: 177.59 g/mol
Exact mass: 177.0094 Da
logP: 2.09Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

920966-02-5

SMILES

C1=CNC2=NC=C(C(=C21)Cl)C#N

InChIKey

ULYGKPKPBWOTFQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClN3/c9-7-5(3-10)4-12-8-6(7)1-2-11-8/h1-2,4H,(H,11,12)

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Names and synonyms

1 names

1H-Pyrrolo[2,3-B]pyridine-5-carbonitrile, 4-chloro-

Work with 4-Chloro-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

1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-358 % similar 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile305371-18-047 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-5-carboxylic acid920966-03-647 % similar 4-Cyanoindole16136-52-045 % similar 1H-Pyrrolo(2,3-b)pyridine-5-carbonitrile517918-95-543 % similar 4-Chloro-7-azaindole55052-28-342 % similar 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile4414-89-541 % similar 4-Chloro-7-fluoro-6-methoxy-3-quinolinecarbonitrile622369-40-840 % similar

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

Elsewhere

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