2-Bromo-3-fluoroisonicotinic Acid - CAS 1211530-89-0
Catalog: |
BB005068 |
Product Name: |
2-Bromo-3-fluoroisonicotinic Acid |
CAS: |
1211530-89-0 |
Synonyms: |
2-bromo-3-fluoro-4-pyridinecarboxylic acid; 2-bromo-3-fluoropyridine-4-carboxylic acid |
IUPAC Name: | 2-bromo-3-fluoropyridine-4-carboxylic acid |
Description: | 2-Bromo-3-fluoroisonicotinic Acid (CAS# 1211530-89-0) is a useful research chemical. |
Molecular Weight: | 220.00 |
Molecular Formula: | C6H3BrFNO2 |
Canonical SMILES: | C1=CN=C(C(=C1C(=O)O)F)Br |
InChI: | InChI=1S/C6H3BrFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11) |
InChI Key: | DHFIVEUMGCJILQ-UHFFFAOYSA-N |
Appearance: | Off-white solid |
MDL: | MFCD13185796 |
LogP: | 1.68140 |
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 |
WO-2021032209-A1 | Anti-influenza virus compound, preparation method and use thereof | 20190822 |
US-2020331911-A1 | Kras g12c inhibitors | 20190110 |
WO-2020146613-A1 | Kras g12c inhibitors | 20190110 |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
AU-2015214961-A1 | Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B | 20140206 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.93312 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.93312 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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