Pasiniazid (2066-89-9)

The Pasiniazid, with the CAS registry number 2066-89-9 and EINECS registry number 218-183-2, has the systematic name of 4-amino-2-hydroxybenzoic acid - pyridine-4-carbohydrazide (1:1). And the molecular formula of the chemical is C₇H₇NO₃^.C₆H₇N₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Flash Point: 184.1 °C; (14)Enthalpy of Vaporization: 66.34 kJ/mol; (15)Boiling Point: 380.8 °C at 760 mmHg; (16)Vapour Pressure: 1.78E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NN)c1ccncc1.O=C(O)c1ccc(N)cc1O
(2)InChI: InChI=1/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)
(3)InChIKey: RKPHTRVPGYGVQD-UHFFFAOYAC