2-Pyridinecarboxylicacid, 6-sulfo- (18616-02-9)

The 6-Sulfopyridine-2-carboxylic acid, with the cas registry number of 18616-02-9, is also known as 2-Pyridinecarboxylic acid, 6-sulfo-. It belongs to the product categories of pyridines. This chemical's molecular formula is C₆H₅NO₅S and formula weight is 203.17. What's more, its systematic name is called 6-Sulfopyridine-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: -1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.9; (4)ACD/LogD (pH 7.4): -5.95; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 90.94 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.17 cm³; (15)Molar Volume: 117.9 cm³; (16)Surface Tension: 83.2 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1nc(C(=O)O)ccc1;
(2)InChI: InChI=1/C6H5NO5S/c8-6(9)4-2-1-3-5(7-4)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12);
(3)InChIKey: NEZIRWWXJYCTCR-UHFFFAOYAM;
(4)Std. InChI: InChI=1S/C6H5NO5S/c8-6(9)4-2-1-3-5(7-4)13(10,11)12/h1-3H,(H,8,9)(H,10,11,12);
(5)Std. InChIKey: NEZIRWWXJYCTCR-UHFFFAOYSA-N.