4-Bromo-5-methylpyridin-3-ol - CAS 1256804-57-5
Catalog: |
BB061819 |
Product Name: |
4-Bromo-5-methylpyridin-3-ol |
CAS: |
1256804-57-5 |
Synonyms: |
4-bromo-5-methylpyridin-3-ol; 4-Bromo-5-methyl-3-hydroxypyridine; 4-Bromo-3-hydroxy-5-methylpyridine; 4-Bromo-5-methyl-pyridin-3-ol |
IUPAC Name: | 4-bromo-5-methylpyridin-3-ol |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | CC1=CN=CC(=C1Br)O |
InChI: | InChI=1S/C6H6BrNO/c1-4-2-8-3-5(9)6(4)7/h2-3,9H,1H3 |
InChI Key: | WEPTWFJAANTNFU-UHFFFAOYSA-N |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 33.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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