Methyl 5-(Chlorosulfonyl)pyridine-3-carboxylate - CAS 594839-14-2
Catalog: |
BB059124 |
Product Name: |
Methyl 5-(Chlorosulfonyl)pyridine-3-carboxylate |
CAS: |
594839-14-2 |
Synonyms: |
Methyl 5-(Chlorosulfonyl)nicotinate |
IUPAC Name: | methyl 5-chlorosulfonylpyridine-3-carboxylate |
Description: | Methyl 5-(Chlorosulfonyl)pyridine-3-carboxylate is a useful research chemical used as a reactant in the preparation of (isoquinolinylsulfonyl)benzoic acids, inhibition of type 5 71-β-hydroxysteroid dehydrogenase AKR1C3, and structure-activity relationships. |
Molecular Weight: | 235.64 |
Molecular Formula: | C7H6ClNO4S |
Canonical SMILES: | COC(=O)C1=CC(=CN=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6ClNO4S/c1-13-7(10)5-2-6(4-9-3-5)14(8,11)12/h2-4H,1H3 |
InChI Key: | MRZZIJUGMGGPLK-UHFFFAOYSA-N |
References: | Jamieson, S., et al. J. Med. Chem. 55, 17, 7746-58, (2012). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020069176-A1 | Compositions and methods for determining the presence of active leukocyte cells using an electrochemical assay | 20180927 |
AU-2019348034-A1 | Compositions and methods for determining the presence of active leukocyte cells using an electrochemical assay | 20180927 |
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Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9706065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9706065 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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