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1H-Pyrrolo[2,3-b]pyridin-3-amine (189882-31-3)

Identification
Name:1H-Pyrrolo[2,3-b]pyridin-3-amine
Synonyms:1H-Pyrrolo[2,3-b]pyridin-3-amine(9CI); 1H-Pyrrolo[2,3-b]pyridin-3-amine
CAS:189882-31-3
Molecular Formula: C7H7N3
Molecular Weight: 133.15
InChI: InChI=1/C7H7N3/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,8H2,(H,9,10)
Molecular Structure: (C7H7N3) 1H-Pyrrolo[2,3-b]pyridin-3-amine(9CI); 1H-Pyrrolo[2,3-b]pyridin-3-amine
Properties
Density:1.367 g/cm3
Refractive index:1.78
Specification:

The 3-Amino-7-azaindole with cas registry number of 189882-31-3, belongs to the following product categories: (1)PYRIDINE; (2)Azaindole; (3)Building Blocks. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridin-3-amine. And its systematic name is 1H-pyrrolo[5,4-b]pyridin-3-amine.

Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.64; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 54.7 Å2; (9)Index of Refraction: 1.78; (10)Molar Refractivity: 40.85 cm3; (11)Molar Volume: 97.3 cm3; (12)Polarizability: 16.19×10-24cm3; (13)Surface Tension: 79.4 dyne/cm; (14)Enthalpy of Vaporization: 62.77 kJ/mol; (15)Vapour Pressure: 5.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES:Nc2cnc1ncccc12;
(2)InChI:InChI=1/C7H7N3/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,8H2,(H,9,10);
(3)InChIKey:HCTKTFWOSSBSIL-UHFFFAOYAL;
(4)Std. InChI:InChI=1S/C7H7N3/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,8H2,(H,9,10);
(5)Std. InChIKey:HCTKTFWOSSBSIL-UHFFFAOYSA-N

Safety Data
 

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