6-Chloro-1-methylpyridin-2(1H)-one - CAS 17228-63-6
Catalog: |
BB069292 |
Product Name: |
6-Chloro-1-methylpyridin-2(1H)-one |
CAS: |
17228-63-6 |
Synonyms: |
6-Chloro-1-methyl-2(1H)-pyridinone; 6-Chloro-1-methyl-1,2-dihydropyridin-2-one;6-Chloro-1-methyl-1H-pyridin-2-one; 6-Chloro-1-methyl-2(1H)-pyridone;6-Chloro-1-methyl-2-pyridone; 6-Chloro-1-methylpyridin-2(1H)-one |
IUPAC Name: | 6-chloro-1-methylpyridin-2-one |
Description: | 6-Chloro-1-methylpyridin-2(1H)-one is used in preparation of substituted pyrimidinones for inhibiting the activity of SHP2. |
Molecular Weight: | 143.57 |
Molecular Formula: | C6H6NOCl |
Canonical SMILES: | CN1C(=O)C=CC=C1Cl |
InChI: | InChI=1S/C6H6ClNO/c1-8-5(7)3-2-4-6(8)9/h2-4H,1H3 |
InChI Key: | WTMIJNWKTCXRBK-UHFFFAOYSA-N |
References: | Yu, B., et al. PCT Int. Appl., (2016). |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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