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Basic Information
CAS No.: 75259-79-9
Name: 5-CHLORO-3-[2-(4-PYRIDINYL)ETHYL]-INDOLE
Molecular Structure:
Molecular Structure of 75259-79-9 (5-CHLORO-3-[2-(4-PYRIDINYL)ETHYL]-INDOLE)
Formula: C15H13ClN2
Molecular Weight: 256.735
Synonyms: 5-Chloro-3-[2-(4-pyridinyl)ethyl]-indole;
Density: 1.28 g/cm3
Boiling Point: 433.8 °C at 760 mmHg
Flash Point: 248.7 °C
PSA: 28.68000
LogP: 4.00150
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Specification

The 1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]-, with the CAS registry number 75259-79-9, is also known as 5-Chloro-3-[2-(4-pyridinyl)ethyl]-indole. This chemical's molecular formula is C15H13ClN2 and molecular weight is 256.7301. Its systematic name is called 5-chloro-3-(2-pyridin-4-ylethyl)-1H-indole.

Physical properties of 1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]-: (1)ACD/LogP: 3.92; (2)ACD/LogD (pH 5.5): 3.29; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 130.95; (5)ACD/BCF (pH 7.4): 535.27; (6)ACD/KOC (pH 5.5): 755.51; (7)ACD/KOC (pH 7.4): 3088.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.677; (12)Molar Refractivity: 75.55 cm3; (13)Molar Volume: 200.5 cm3; (14)Surface Tension: 56.3 dyne/cm; (15)Density: 1.28 g/cm3; (16)Flash Point: 248.7 °C; (17)Enthalpy of Vaporization: 66.31 kJ/mol; (18)Boiling Point: 433.8 °C at 760 mmHg; (19)Vapour Pressure: 2.54E-07 mmHg at 25°C.

Preparation of 1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]-: this chemical can be prepared by 5-chloro-indole and 4-vinyl-pyridine. This reaction will need reagent acetic acid. The reaction time is 5 hours. The yield is about 63%.

1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]- can be prepared by 5-chloro-indole and 4-vinyl-pyridine

Uses of 1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]-: it can be used to produce 5-chloro-3-[2-(4-piperidinyl)ethyl]indole at ambient temperature. This reaction will need reagent H2, catalyst Pt2O and solvent acetic acid. The yield is about 60%.

1H-Indole,5-chloro-3-[2-(4-pyridinyl)ethyl]- can be used to produce 5-chloro-3-[2-(4-piperidinyl)ethyl]indole

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2CCc3ccncc3
(2)InChI: InChI=1/C15H13ClN2/c16-13-3-4-15-14(9-13)12(10-18-15)2-1-11-5-7-17-8-6-11/h3-10,18H,1-2H2
(3)InChIKey: WXJHBMDJCMGNBU-UHFFFAOYAB