6-methanesulfonylpyridine-3-carboxylic acid

6-methanesulfonylpyridine-3-carboxylic acid

CAS: 1186663-34-2

Formula: C7H7NO4S

SMILES: CS(=O)(=O)C1=CC=C(C=N1)C(O)=O

IUPAC: 6-methanesulfonylpyridine-3-carboxylic acid

InChI: InChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)

Composition: C (41.79%), H (3.51%), N (6.96%), O (31.81%), S (15.93%)

Molar Mass: 201.2

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.009578883
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VXELRDIIZXYOMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.47
Topological Polar Surface Area	84.33
Polarizability	17.9
Ring Count	1
Rotatable Bond Count	2

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