3-Pyridinamine, 2-iodo- (209286-97-5)

The 2-Iodopyridin-3-ylamine, with CAS registry number 209286-97-5, belongs to the following product categorie: Pyridine. Its systematic name and its IUPAC name are the same, which is 2-iodopyridin-3-amine. Besides this, it is also called 3-pyridinamine, 2-iodo-.

Physical properties about this chemical are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.14; (6)ACD/BCF (pH 7.4): 6.16; (7)ACD/KOC (pH 5.5): 127.59; (8)ACD/KOC (pH 7.4): 127.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 41.48 cm³; (15)Molar Volume: 107 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 64.1 dyne/cm; (18)Enthalpy of Vaporization: 56.95 kJ/mol; (19)Vapour Pressure: 0.000205 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cccnc1I
(2)InChI: InChI=1/C5H5IN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
(3)InChIKey: CQOKRSJTVWBAKI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H5IN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
(5)Std. InChIKey: CQOKRSJTVWBAKI-UHFFFAOYSA-N