3-acetyl-2-fluoropyridine - CAS 79574-70-2
Catalog: |
BB036378 |
Product Name: |
3-acetyl-2-fluoropyridine |
CAS: |
79574-70-2 |
Synonyms: |
1-(2-fluoro-3-pyridinyl)ethanone; 1-(2-fluoropyridin-3-yl)ethanone |
IUPAC Name: | 1-(2-fluoropyridin-3-yl)ethanone |
Description: | 3-acetyl-2-fluoropyridine (CAS# 79574-70-2) is a useful research chemical. |
Molecular Weight: | 139.13 |
Molecular Formula: | C7H6FNO |
Canonical SMILES: | CC(=O)C1=C(N=CC=C1)F |
InChI: | InChI=1S/C7H6FNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3 |
InChI Key: | KEEHTCBOJCVCNO-UHFFFAOYSA-N |
Boiling Point: | 232.4 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.175 g/cm3 |
LogP: | 1.42330 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020132603-A2 | Salicyl-adenosinemonosulfamate analogs and uses thereof | 20181221 |
JP-2019011367-A | Method for producing optically active secondary alcohol | 20181012 |
US-2017119766-A1 | Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity | 20151104 |
WO-2017079542-A1 | Methods for treating cancer using pyrimidine and pyridine compounds with btk inhibitory activity | 20151104 |
EP-3371191-A1 | Novel tricyclic compounds as inhibitors of mutant idh enzymes | 20151029 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyridines
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