3-(Methylsulfonyl)pyridine-2-carboxylic Acid - CAS 61830-06-6
Catalog: |
BB031276 |
Product Name: |
3-(Methylsulfonyl)pyridine-2-carboxylic Acid |
CAS: |
61830-06-6 |
Synonyms: |
3-methylsulfonyl-2-pyridinecarboxylic acid; 3-methylsulfonylpyridine-2-carboxylic acid |
IUPAC Name: | 3-methylsulfonylpyridine-2-carboxylic acid |
Description: | 3-(Methylsulfonyl)pyridine-2-carboxylic Acid (CAS# 61830-06-6) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | CS(=O)(=O)C1=C(N=CC=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO4S/c1-13(11,12)5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | PMLMPPPFXKNYQI-UHFFFAOYSA-N |
LogP: | 1.26410 |
Publication Number | Title | Priority Date |
AU-2015281846-A1 | Method for manufacturing 3-(alkyl sulfonyl)pyridine-2-carboxylic acid | 20140626 |
AU-2015281846-B2 | Method for manufacturing 3-(alkyl sulfonyl)pyridine-2-carboxylic acid | 20140626 |
CN-106458907-A | Method for manufacturing 3-(alkyl sulfonyl)pyridine-2-carboxylic acid | 20140626 |
CN-106458907-B | The manufacturing method of 3- (alkyl sulphonyl) pyridine-2-carboxylic acids | 20140626 |
CN-106660958-A | Method for manufacturing 3-(alkyl sulfonyl)pyridine-2-carboxylic acid | 20140626 |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.00957888 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.00957888 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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