2-Chloro-8-methylquinoline-3-carboxylic Acid - CAS 399017-39-1
Catalog: |
BB024194 |
Product Name: |
2-Chloro-8-methylquinoline-3-carboxylic Acid |
CAS: |
399017-39-1 |
Synonyms: |
2-chloro-8-methyl-3-quinolinecarboxylic acid; 2-chloro-8-methylquinoline-3-carboxylic acid |
IUPAC Name: | 2-chloro-8-methylquinoline-3-carboxylic acid |
Description: | 2-Chloro-8-methylquinoline-3-carboxylic Acid (CAS# 399017-39-1) is a useful research chemical. |
Molecular Weight: | 221.64 |
Molecular Formula: | C11H8ClNO2 |
Canonical SMILES: | CC1=CC=CC2=CC(=C(N=C12)Cl)C(=O)O |
InChI: | InChI=1S/C11H8ClNO2/c1-6-3-2-4-7-5-8(11(14)15)10(12)13-9(6)7/h2-5H,1H3,(H,14,15) |
InChI Key: | BVEMEOSELOITBF-UHFFFAOYSA-N |
LogP: | 2.89480 |
Publication Number | Title | Priority Date |
WO-2021030556-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20190814 |
WO-2012164085-A1 | Glycine b antagonists | 20110603 |
US-2011190342-A1 | Glycine b antagonist | 20080930 |
US-8288549-B2 | Glycine B antagonist | 20080930 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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