This chemical's CAS registry number is 276862-85-2 and it also known as 4-Azaindole-3-carbaldehyde. It belongs to the product categories of Pyridine and Aldehyde. This chemical's molecular formula is C8H6N2O and molecular weight is 146.146. What's more, both the product name and systematic name are the same which is called 1H-Pyrrolo[3,2-b]pyridine-3-carbaldehyde.
Physical properties about 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde are: (1)ACD/LogP: 0.32; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 27.96; (8)ACD/KOC (pH 7.4): 35.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.37 cm3; (15)Molar Volume: 106.7 cm3; (16)Polarizability: 17.19×10-24 cm3; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.368 g/cm3; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cnc1cccnc12
(2) InChI: InChI=1/C8H6N2O/c11-5-6-4-10-7-2-1-3-9-8(6)7/h1-5,10H
(3) InChIKey: JDIWXZAFVHTGBQ-UHFFFAOYAA
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