2-PYRROLIDIN-1-YL-ISONICOTINIC ACID HYDROCHLORIDE

The 4-Pyridinecarboxylicacid, 2-(1-pyrrolidinyl)-, with its CAS registry number 98088-04-1, has the systematic name of 2-pyrrolidin-1-ylpyridine-4-carboxylic acid. And it has the molecular formula of C₁₀H₁₂N₂O₂. When store it, you should keep it in the dry and well-ventilated place.

The characteristics of 4-Pyridinecarboxylicacid, 2-(1-pyrrolidinyl)- are as follows: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -1.7; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Ų; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 51.47 cm³; (15)Molar Volume: 149.7 cm³; (16)Polarizability: 20.4×10^-24cm³; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 239.9 °C; (20)Enthalpy of Vaporization: 77.54 kJ/mol; (21)Boiling Point: 473 °C at 760 mmHg; (22)Vapour Pressure: 9.41E-10 mmHg at 25°C; (23)Exact Mass: 192.089878; (24)MonoIsotopic Mass: 192.089878; (25)Topological Polar Surface Area: 53.4; (26)Heavy Atom Count: 14; (27)Complexity: 214; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Acceptor Count: 2; (30)Feature 3D Anion Count: 1; (31)Feature 3D Cation Count: 1; (32)Feature 3D Ring Count: 2; (33)Effective Rotor Count: 3; (34)Conformer Sampling RMSD: 0.6.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1CCN(C1)C2=NC=CC(=C2)C(=O)O
(2)InChI: InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)
(3)InChIKey: PQLHQGBNMJTAEH-UHFFFAOYSA-N