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

Name
6-PYRIDIN-3-YL-1H-INDOLE
EINECS
CAS No. 147621-19-0
Article Data5
CAS DataBase
Density 1.211 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₂
Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 194.236
Flash Point 192.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-PYRIDIN-3-YL-1H-INDOLE
PSA 28.68000
LogP 3.22990

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

Product Name

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

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

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