5-(Ethoxycarbonyl)-2-methylpyridine-3-carboxylic Acid - CAS 936801-41-1
Catalog: |
BB041018 |
Product Name: |
5-(Ethoxycarbonyl)-2-methylpyridine-3-carboxylic Acid |
CAS: |
936801-41-1 |
Synonyms: |
5-ethoxycarbonyl-2-methyl-3-pyridinecarboxylic acid; 5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid |
IUPAC Name: | 5-ethoxycarbonyl-2-methylpyridine-3-carboxylic acid |
Description: | 5-(Ethoxycarbonyl)-2-methylpyridine-3-carboxylic Acid (CAS# 936801-41-1) is a useful research chemical. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(N=C1)C)C(=O)O |
InChI: | InChI=1S/C10H11NO4/c1-3-15-10(14)7-4-8(9(12)13)6(2)11-5-7/h4-5H,3H2,1-2H3,(H,12,13) |
InChI Key: | MSQHZKSFFAUENN-UHFFFAOYSA-N |
LogP: | 1.26490 |
Publication Number | Title | Priority Date |
WO-2007056016-A2 | Bisamide cytokine inhibitors | 20051102 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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