2-AMINO-[1,8]NAPHTHYRIDINE-3-CARBONITRILE

The 1,8-Naphthyridine-3-carbonitrile,2-amino-, with the CAS registry number 15935-95-2, is also known as 2-Amino-[1,8]naphthyridine-3-carbonitrile. This chemical's molecular formula is C₉H₆N₄ and molecular weight is 170.17. What's more, both its IUPAC name and systematic name are the same which is called 2-Amino-1,8-naphthyridine-3-carbonitrile. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties about 1,8-Naphthyridine-3-carbonitrile,2-amino- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11.06; (7)ACD/KOC (pH 5.5): 193.36; (8)ACD/KOC (pH 7.4): 194.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 75.59 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 48.09 cm³; (15)Molar Volume: 123.5 cm³; (16)Surface Tension: 86.7 dyne/cm; (17)Density: 1.37 g/cm³; (18)Flash Point: 200 °C; (19)Enthalpy of Vaporization: 65.89 kJ/mol; (20)Boiling Point: 407 °C at 760 mmHg; (21)Vapour Pressure: 7.77E-07 mmHg at 25 °C.

Preparation of 1,8-Naphthyridine-3-carbonitrile,2-amino-: this chemical can be prepared by 2-Amino-pyridine-3-carbaldehyde with Malononitrile. This reaction needs reagent piperidine at temperature of 20 °C. The reaction time is 2 min. The yield is 98 %.

Uses of 1,8-Naphthyridine-3-carbonitrile,2-amino-: it is used to produce other chemicals. For example, it is used to produce 2-Pyridin-4-yl-1H-1,8,9-triaza-anthracen-4-one. The reaction occurs with reagent conc. Sulphuric acid solvent Acetic acid and other condition of heating for 4 hours. The yield is 70 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc2cccnc2nc1N
(2) InChI: InChI=1/C9H6N4/c10-5-7-4-6-2-1-3-12-9(6)13-8(7)11/h1-4H,(H2,11,12,13)
(3) InChIKey: OAKUSQCSHYQNHJ-UHFFFAOYAV