5-(Methylsulfonyl)nicotinic Acid - CAS 893723-59-6
Catalog: |
BB039451 |
Product Name: |
5-(Methylsulfonyl)nicotinic Acid |
CAS: |
893723-59-6 |
Synonyms: |
5-methylsulfonyl-3-pyridinecarboxylic acid; 5-methylsulfonylpyridine-3-carboxylic acid |
IUPAC Name: | 5-methylsulfonylpyridine-3-carboxylic acid |
Description: | 5-(Methylsulfonyl)nicotinic Acid (CAS# 893723-59-6) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C7H7NO4S |
Canonical SMILES: | CS(=O)(=O)C1=CN=CC(=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4H,1H3,(H,9,10) |
InChI Key: | FFCWPCHCXVDCBZ-UHFFFAOYSA-N |
LogP: | 1.26410 |
Publication Number | Title | Priority Date |
AU-2018332887-A1 | Bisamide sarcomere activating compounds and uses thereof | 20170913 |
CA-3075669-A1 | Bisamide sarcomere activating compounds and uses thereof | 20170913 |
KR-20200054237-A | Bisamide muscle fibrillar node activating compound and use thereof | 20170913 |
TW-201920096-A | Diammine sarcomeric activation compound and use thereof | 20170913 |
US-2019077793-A1 | Bisamide sarcomere activating compounds and uses thereof | 20170913 |
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: | -0.4 |
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