6-(Methylsulfonyl)nicotinic Acid - CAS 1186663-34-2
Catalog: |
BB004211 |
Product Name: |
6-(Methylsulfonyl)nicotinic Acid |
CAS: |
1186663-34-2 |
Synonyms: |
6-methylsulfonyl-3-pyridinecarboxylic acid; 6-methylsulfonylpyridine-3-carboxylic acid |
IUPAC Name: | 6-methylsulfonylpyridine-3-carboxylic acid |
Description: | 6-(Methylsulfonyl)nicotinic Acid (CAS# 1186663-34-2) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | CS(=O)(=O)C1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | VXELRDIIZXYOMH-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.26410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-106661002-A | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | 20140804 |
EP-2773351-A2 | Inhibitors of the renal outer medullary potassium channel | 20111031 |
EP-2773351-B1 | Inhibitors of the renal outer medullary potassium channel | 20111031 |
US-2014288042-A1 | Inhibitors of the renal outer medullary potassium channel | 20111031 |
US-9493474-B2 | Inhibitors of the renal outer medullary potassium channel | 20111031 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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