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1H-Indole, 6-(3-pyridinyl)-

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Name

1H-Indole, 6-(3-pyridinyl)-

EINECS N/A
CAS No. 147621-19-0 Density 1.211 g/cm3
PSA 28.68000 LogP 3.22990
Solubility N/A Melting Point N/A
Formula C13H10N2 Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 194.236 Flash Point 192.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 147621-19-0 (6-PYRIDIN-3-YL-1H-INDOLE) Hazard Symbols N/A
Synonyms

6-PYRIDIN-3-YL-1H-INDOLE

Article Data 5

1H-Indole, 6-(3-pyridinyl)- Specification

This chemical is called 1H-Indole, 6-(3-pyridinyl)-, and its systematic name is 6-pyridin-3-yl-1H-indole. With the molecular formula of C13H10N2, its molecular weight is 194.23. The CAS registry number of this chemical is 147621-19-0.

Other characteristics of the 1H-Indole, 6-(3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 37.1; (6)ACD/BCF (pH 7.4): 53.87; (7)ACD/KOC (pH 5.5): 415.15; (8)ACD/KOC (pH 7.4): 602.87; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 61.21 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 24.26×10-24cm3; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 192.9 °C; (20)Enthalpy of Vaporization: 64.77 kJ/mol; (21)Boiling Point: 420.1 °C at 760 mmHg; (22)Vapour Pressure: 7.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: n3cccc(c1ccc2c(c1)ncc2)c3
2.InChI: InChI=1/C13H10N2/c1-2-12(9-14-6-1)11-4-3-10-5-7-15-13(10)8-11/h1-9,15H
3.InChIKey: FUNQPHBGDXAVGZ-UHFFFAOYAQ

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