2-Acetyl-3-bromopyridine - CAS 111043-09-5
Catalog: |
BB002704 |
Product Name: |
2-Acetyl-3-bromopyridine |
CAS: |
111043-09-5 |
Synonyms: |
1-(3-bromo-2-pyridinyl)ethanone; 1-(3-bromopyridin-2-yl)ethanone |
IUPAC Name: | 1-(3-bromopyridin-2-yl)ethanone |
Description: | 2-Acetyl-3-bromopyridine (CAS# 111043-09-5) is a useful research chemical. |
Molecular Weight: | 200.03 |
Molecular Formula: | C7H6BrNO |
Canonical SMILES: | CC(=O)C1=C(C=CC=N1)Br |
InChI: | InChI=1S/C7H6BrNO/c1-5(10)7-6(8)3-2-4-9-7/h2-4H,1H3 |
InChI Key: | SMOWKFOTFNHSBT-UHFFFAOYSA-N |
LogP: | 2.04670 |
Publication Number | Title | Priority Date |
US-2021130303-A1 | Ras inhibitors | 20191104 |
US-2021130326-A1 | Ras inhibitors | 20191104 |
US-2021130369-A1 | Ras inhibitors | 20191104 |
WO-2021091956-A1 | Ras inhibitors | 20191104 |
WO-2021091967-A1 | Ras inhibitors | 20191104 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyridines
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