4-Acetyl-2-chloropyridine - CAS 23794-15-2
Catalog: |
BB018187 |
Product Name: |
4-Acetyl-2-chloropyridine |
CAS: |
23794-15-2 |
Synonyms: |
1-(2-chloropyridin-4-yl)ethanone |
IUPAC Name: | 1-(2-chloropyridin-4-yl)ethanone |
Description: | 4-Acetyl-2-chloropyridine (CAS# 23794-15-2) is used for the synthesis of pyrimidine derivatives as hSMG-1 inhibitors in the treatment of cancer. |
Molecular Weight: | 155.58 |
Molecular Formula: | C7H6ClNO |
Canonical SMILES: | CC(=O)C1=CC(=NC=C1)Cl |
InChI: | InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3 |
InChI Key: | ZJCGPQZERFBGSM-UHFFFAOYSA-N |
Boiling Point: | 270.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.233 g/cm3 |
Appearance: | White to yellow powder |
MDL: | MFCD07699406 |
LogP: | 1.93760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
WO-2020061116-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
WO-2020061117-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
WO-2020061118-A1 | Farnesoid x receptor agonists and uses thereof | 20180918 |
CN-113056265-A | Farnesoin X receptor agonists and uses thereof | 20180918 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0137915 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Carbonyl Compounds
Pyridines
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