4-Fluoronicotinic Acid - CAS 152126-33-5
Catalog: |
BB010751 |
Product Name: |
4-Fluoronicotinic Acid |
CAS: |
152126-33-5 |
Synonyms: |
4-fluoro-3-pyridinecarboxylic acid; 4-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 4-fluoropyridine-3-carboxylic acid |
Description: | 4-Fluoronicotinic Acid (CAS# 152126-33-5 ) is a useful research chemical. |
Molecular Weight: | 141.10 |
Molecular Formula: | C6H4FNO2 |
Canonical SMILES: | C1=CN=CC(=C1F)C(=O)O |
InChI: | InChI=1S/C6H4FNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10) |
InChI Key: | UBIVUIKWHBNGFG-UHFFFAOYSA-N |
Boiling Point: | 284.9 ℃ at 760 mmHg |
Density: | 1.419 g/cm3 |
LogP: | 0.91890 |
Publication Number | Title | Priority Date |
WO-2021032687-A1 | Antimalarial hexahydropyrimidine analogues | 20190819 |
US-2021164005-A1 | Methods for inducing bioorthogonal reactivity | 20151215 |
AU-2015218775-B2 | Antimitotic amides for the treatment of cancer and proliferative disorders | 20140221 |
AU-2015218775-C1 | Antimitotic amides for the treatment of cancer and proliferative disorders | 20140221 |
EP-3107909-B1 | Antimitotic amides for the treatment of cancer and proliferative disorders | 20140221 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.02260653 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.02260653 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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