3-(4-Chlorbutyl)-1H-indol-5-carbonitril

C₁₃H₁₃ClN₂CAS 143612-79-7232.71 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₁₃H₁₃ClN₂
Molar mass: 232.71 g/mol
Exact mass: 232.0767 Da
logP: 3.60Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

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

143612-79-7

SMILES

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

InChIKey

NJJWMEJWFYRORL-UHFFFAOYSA-N

InChI

InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2

Weigh it out

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Names and synonyms

1 names

3-(4-Chlorobutyl)-5-cyanoindole

Work with 3-(4-Chlorbutyl)-1H-indol-5-carbonitril

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-Formyl-1H-indole-5-carbonitrile17380-18-649 % similar Vilazodone163521-12-846 % similar Vilazodone hydrochloride163521-08-244 % similar Indole-3-propanol3569-21-941 % similar Indole-5-carbonitrile15861-24-240 % similar 5-Bromo-1H-indole-3-ethanol32774-29-138 % similar 5-Chlorotryptamine3764-94-138 % similar Serotonin50-67-938 % similar

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

Same formula

Biphenyl-4-carboxamidine hydrochloride111082-23-6

Elsewhere

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