3-Fluoro-4-pyridinecarboxylic acid - CAS 393-53-3
Catalog: |
BB023945 |
Product Name: |
3-Fluoro-4-pyridinecarboxylic acid |
CAS: |
393-53-3 |
Synonyms: |
3-fluoropyridine-4-carboxylic acid |
IUPAC Name: | 3-fluoropyridine-4-carboxylic acid |
Description: | 3-Fluoro-4-pyridinecarboxylic acid (CAS# 393-53-3) is a useful research chemical. |
Molecular Weight: | 141.10 |
Molecular Formula: | C6H4FNO2 |
Canonical SMILES: | C1=CN=CC(=C1C(=O)O)F |
InChI: | InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10) |
InChI Key: | POLXLLIQWDBJMD-UHFFFAOYSA-N |
Boiling Point: | 360 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.419 g/cm 3 |
MDL: | MFCD03789251 |
LogP: | 0.91890 |
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 |
CN-111072987-A | Two fluorinated metal organic framework materials, preparation and low-carbon hydrocarbon separation application thereof | 20191219 |
WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
WO-2021116451-A1 | Heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 20191211 |
CN-110950797-A | Preparation method of 2-trifluoromethyl-3-fluoro-4-picolinic acid and derivatives thereof | 20191206 |
CN-110818629-A | Method for synthesizing fluoroisonicotinic acid derivative | 20191205 |
PMID | Publication Date | Title | Journal |
22836617 | 20130101 | CRAC ion channels and airway defense reflexes in experimental allergic inflammation | Advances in experimental medicine and biology |
22402985 | 20120401 | Orai1 calcium channels in the vasculature | Pflugers Archiv : European journal of physiology |
22162125 | 20120109 | Fluorinated metal-organic frameworks: advantageous for higher H2 and CO2 adsorption or not? | Chemistry (Weinheim an der Bergstrasse, Germany) |
21545575 | 20110901 | Nanomolar potency and selectivity of a Ca²⁺ release-activated Ca²⁺ channel inhibitor against store-operated Ca²⁺ entry and migration of vascular smooth muscle cells | British journal of pharmacology |
21577281 | 20110301 | Pharmacologic modulation of experimentally induced allergic asthma | Interdisciplinary toxicology |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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