Methyl 3-Fluoroisonicotinate - CAS 876919-08-3
Catalog: |
BB038595 |
Product Name: |
Methyl 3-Fluoroisonicotinate |
CAS: |
876919-08-3 |
Synonyms: |
3-fluoro-4-pyridinecarboxylic acid methyl ester; methyl 3-fluoropyridine-4-carboxylate |
IUPAC Name: | methyl 3-fluoropyridine-4-carboxylate |
Description: | Methyl 3-Fluoroisonicotinate (CAS# 876919-08-3) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=NC=C1)F |
InChI: | InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3 |
InChI Key: | KAXQMQPQJSMLLM-UHFFFAOYSA-N |
Boiling Point: | 206.8 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
MDL: | MFCD11045048 |
LogP: | 1.00730 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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-112891348-A | Use and pharmaceutical composition of phenyl isoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
CN-112898289-A | Compounds for modulating FXR activity and uses thereof | 20191203 |
PMID | Publication Date | Title | Journal |
17962783 | 20060225 | A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution | Molecules (Basel, Switzerland) |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0382566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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