4-Chloro-3,5-dimethylpyridine-2-methanol - CAS 150054-50-5
Catalog: |
BB010480 |
Product Name: |
4-Chloro-3,5-dimethylpyridine-2-methanol |
CAS: |
150054-50-5 |
Synonyms: |
(4-chloro-3,5-dimethyl-2-pyridinyl)methanol; (4-chloro-3,5-dimethylpyridin-2-yl)methanol |
IUPAC Name: | (4-chloro-3,5-dimethylpyridin-2-yl)methanol |
Description: | 4-Chloro-3,5-dimethylpyridine-2-methanol (CAS# 150054-50-5) is a derivative of pyridine hydrochloride (P991280), a base structure present in many biologically active compounds like the vitamins niacin and pyridoxal. Pyridine is used in dehalogenation reactions and can be used as a base in condensation reactions. |
Molecular Weight: | 171.62 |
Molecular Formula: | C8H10ClNO |
Canonical SMILES: | CC1=CN=C(C(=C1Cl)C)CO |
InChI: | InChI=1S/C8H10ClNO/c1-5-3-10-7(4-11)6(2)8(5)9/h3,11H,4H2,1-2H3 |
InChI Key: | CQKHUAFREIMBJI-UHFFFAOYSA-N |
LogP: | 1.84410 |
Publication Number | Title | Priority Date |
CN-102603620-A | Synthetic method of chloromethylpyridine or pyridine derivative hydrochloride of chloromethylpyridine | 20120113 |
AU-2006274036-A1 | Isotopically substituted proton pump inhibitors | 20050726 |
AU-2006274036-A2 | Isotopically substituted proton pump inhibitors | 20050726 |
AU-2006274036-B2 | Isotopically substituted proton pump inhibitors | 20050726 |
BR-PI0614039-A2 | isotopically substituted proton pump inhibitors | 20050726 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0450916 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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