6-Chloro-2-fluoronicotinic Acid - CAS 1211578-46-9
Catalog: |
BB005082 |
Product Name: |
6-Chloro-2-fluoronicotinic Acid |
CAS: |
1211578-46-9 |
Synonyms: |
6-chloro-2-fluoro-3-pyridinecarboxylic acid; 6-chloro-2-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 6-chloro-2-fluoropyridine-3-carboxylic acid |
Description: | 6-Chloro-2-fluoronicotinic Acid (CAS# 1211578-46-9) is a useful research chemical. |
Molecular Weight: | 175.54 |
Molecular Formula: | C6H3ClFNO2 |
Canonical SMILES: | C1=CC(=NC(=C1C(=O)O)F)Cl |
InChI: | InChI=1S/C6H3ClFNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11) |
InChI Key: | GSSVAHBRTISODE-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.57230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017240685-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20160331 |
EP-3436446-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20160331 |
US-2019055220-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20160331 |
WO-2017173274-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 20160331 |
US-10738030-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | 20160331 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9836342 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9836342 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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