6- Chloro- 2- ethylaminonicotinic Acid - CAS 1092523-21-1
Catalog: |
BB070123 |
Product Name: |
6- Chloro- 2- ethylaminonicotinic Acid |
CAS: |
1092523-21-1 |
Synonyms: |
2-(Ethylamino)-6-chloronicotinic Acid; 6-Chloro-2-(ethylamino)pyridine-3-carboxylic Acid |
IUPAC Name: | 6-chloro-2-(ethylamino)pyridine-3-carboxylic acid |
Description: | 6- Chloro- 2- ethylaminonicotinic Acid is an intermediate in the synthesis of SAR131675 (S139510), is a potent and selective VEGFR-3 inhibitor. |
Molecular Weight: | 200.62 |
Molecular Formula: | C8H9ClN2O2 |
Canonical SMILES: | CCNC1=C(C=CC(=N1)Cl)C(=O)O |
InChI: | InChI=1S/C8H9ClN2O2/c1-2-10-7-5(8(12)13)3-4-6(9)11-7/h3-4H,2H2,1H3,(H,10,11)(H,12,13) |
InChI Key: | SAGPWEDGPJWJDT-UHFFFAOYSA-N |
Solubility: | Acetone, Ethyl Acetate |
Appearance: | Green Solid |
References: | Alam, A., et al. Mol. Cancer. Ther., 11, 1637 (2012). |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0352552 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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