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13228-40-5

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Basic Information
CAS No.: 13228-40-5
Name: 2-PYRIDIN-2-YL-1H-INDOLE
Article Data: 1
Molecular Structure:
Molecular Structure of 13228-40-5 (2-PYRIDIN-2-YL-1H-INDOLE)
Formula: C13H10N2
Molecular Weight: 194.236
Synonyms: Indole,2-(2-pyridyl)- (6CI,7CI,8CI);2-(2-Pyridyl)indole;2-Pyridylindole;NSC 112668;
Density: 1.211 g/cm3
Melting Point: 152.0 to 156.0 °C
Boiling Point: 409.105 °C at 760 mmHg
Flash Point: 186.626 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 28.68000
LogP: 3.22990
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Specification

The 1H-Indole,2-(2-pyridinyl)-, with CAS registry number 13228-40-5, has the systematic name of 2-(pyridin-2-yl)-1H-indole. Besides this, it is also called 2-(2-Pyridinyl)-1H-indole. Its molecular weight is 194.2319. And the chemical formula of this chemical is C13H10N2.

Physical properties of 1H-Indole,2-(2-pyridinyl)-: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 61.21 cm3; (9)Molar Volume: 160.3 cm3; (10)Polarizability: 24.26×10-24cm3; (11)Surface Tension: 55.7 dyne/cm; (12)Density: 1.211 g/cm3; (13)Flash Point: 186.6 °C; (14)Enthalpy of Vaporization: 63.55 kJ/mol; (15)Boiling Point: 409.1 °C at 760 mmHg; (16)Vapour Pressure: 1.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1c3cc2ccccc2n3
(2)InChI: InChI=1/C13H10N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-9,15H
(3)InChIKey: OLGGLCIDAMICTA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H10N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-9,15H
(5)Std. InChIKey: OLGGLCIDAMICTA-UHFFFAOYSA-N