8-Chloro-4-hydroxyquinoline-3-carboxylic acid - CAS 35966-16-6
Catalog: |
BB022811 |
Product Name: |
8-Chloro-4-hydroxyquinoline-3-carboxylic acid |
CAS: |
35966-16-6 |
Synonyms: |
8-chloro-4-oxo-1H-quinoline-3-carboxylic acid |
IUPAC Name: | 8-chloro-4-oxo-1H-quinoline-3-carboxylic acid |
Description: | 8-Chloro-4-hydroxyquinoline-3-carboxylic acid (CAS# 35966-16-6) is a useful research chemical. |
Molecular Weight: | 223.61 |
Molecular Formula: | C10H6ClNO3 |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)NC=C(C2=O)C(=O)O |
InChI: | InChI=1S/C10H6ClNO3/c11-7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15) |
InChI Key: | MQDCOKGAQYWIDE-UHFFFAOYSA-N |
Boiling Point: | 393 °C at 760 mmHg |
Density: | 1.549 g/cm3 |
LogP: | 2.29200 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014088144-A1 | Inhibiting microbial infections | 20120925 |
US-2012309758-A1 | Modulators of atp-binding cassette transporters | 20101210 |
US-8802700-B2 | Modulators of ATP-Binding Cassette transporters | 20101210 |
TW-I468394-B | Molecular crystallization of fluorinated quinolinonecarboxylic acid | 20090325 |
CN-101300236-A | Triazole compounds as lipoxygenase inhibitors | 20051031 |
PMID | Publication Date | Title | Journal |
17064064 | 20061102 | Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2 | Journal of medicinal chemistry |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Quinoline/Isoquinoline
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