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6602-56-8

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Basic Information
CAS No.: 6602-56-8
Name: 2-CHLOROPYRIDINE-3-SULFONIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 6602-56-8 (2-CHLOROPYRIDINE-3-SULFONIC ACID)
Formula: C5H4ClNO3S
Molecular Weight: 193.611
Synonyms: 2-Chloro-3-pyridinesulfonicacid;2-Chloropyridine-3-sulphonic acid;
Density: 1.649 g/cm3
Melting Point: 276-280℃
PSA: 75.64000
LogP: 2.06250
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Specification

The systematic name of 3-Pyridinesulfonicacid, 2-chloro- is 2-chloropyridine-3-sulfonic acid. With the CAS registry number 6602-56-8, it is also named as 2-Chloropyridine-3-sulphonic acid. The product's category is Pyridines. In addition, its molecular formula is C5H4ClNO3S and its molecular weight is 193.61.

The other characteristics of 3-Pyridinesulfonicacid, 2-chloro- can be summarized as: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.09; (4)ACD/LogD (pH 7.4): -4.09; (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: 1; (12)Polar Surface Area: 64.64 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 39.72 cm3; (15)Molar Volume: 117.3 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.649 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)c1cccnc1Cl
(2)InChI: InChI=1/C5H4ClNO3S/c6-5-4(11(8,9)10)2-1-3-7-5/h1-3H,(H,8,9,10)
(3)InChIKey: VBJDRRWFZIWJOS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H4ClNO3S/c6-5-4(11(8,9)10)2-1-3-7-5/h1-3H,(H,8,9,10)
(5)Std. InChIKey: VBJDRRWFZIWJOS-UHFFFAOYSA-N