4-Chloromethyl-2-methylpyridine - CAS 75523-42-1
Catalog: |
BB062387 |
Product Name: |
4-Chloromethyl-2-methylpyridine |
CAS: |
75523-42-1 |
Synonyms: |
4-(Chloromethyl)-2-picoline; 4-Chloromethyl-2-methylpyridine |
IUPAC Name: | 4-(chloromethyl)-2-methylpyridine |
Description: | 4-Chloromethyl-2-methylpyridine is used in the preparation of HIV-1 protease inhibitors. |
Molecular Weight: | 178.06 |
Molecular Formula: | C7H9Cl2N |
Canonical SMILES: | CC1=NC=CC(=C1)CCl |
InChI: | InChI=1S/C7H8ClN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3 |
InChI Key: | XDDLZDABUCJCMO-UHFFFAOYSA-N |
References: | Kim, B.M. et al. Bioorg. Med. Chem. Lett., 5, 2239 (1995). |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.034527 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.034527 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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