5-Pyrimidinecarbonitrile,4-amino-2-(3-pyridinyl)- (175205-75-1)

The 4-Amino-2-(3-pyridyl)pyrimidine-5-carbonitrile with cas registry number of 175205-75-1, has the systematic name of 4-amino-2-pyridin-3-ylpyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.05; (8)ACD/KOC (pH 7.4): 24.06; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.7 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 53.03 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 21.02×10^-24cm³; (17)Surface Tension: 91.2 dyne/cm; (18)Enthalpy of Vaporization: 57.25 kJ/mol; (19)Vapour Pressure: 0.000171 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: 
The 4-Amino-2-(3-pyridyl)pyrimidine-5-carbonitrile is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: N#Cc1cnc(nc1N)c2cnccc2;
(2)InChI: InChI=1/C10H7N5/c11-4-8-6-14-10(15-9(8)12)7-2-1-3-13-5-7/h1-3,5-6H,(H2,12,14,15);
(3)InChIKey: DAPYGRCGMWLPSB-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C10H7N5/c11-4-8-6-14-10(15-9(8)12)7-2-1-3-13-5-7/h1-3,5-6H,(H2,12,14,15);
(5)Std. InChIKey: DAPYGRCGMWLPSB-UHFFFAOYSA-N