2-Bromo-3-methylpyridin-4-ol - CAS 1227571-09-6
Catalog: |
BB055436 |
Product Name: |
2-Bromo-3-methylpyridin-4-ol |
CAS: |
1227571-09-6 |
Synonyms: |
2-Bromo-3-methylpyridin-4-ol; 2-bromo-3-methyl-1H-pyridin-4-one; 2-Bromo-4-hydroxy-3-methylpyridine |
IUPAC Name: | 2-bromo-3-methyl-1H-pyridin-4-one |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6NOBr |
Canonical SMILES: | CC1=C(NC=CC1=O)Br |
InChI: | InChI=1S/C6H6BrNO/c1-4-5(9)2-3-8-6(4)7/h2-3H,1H3,(H,8,9) |
InChI Key: | DXLGOXJFPYCJDI-UHFFFAOYSA-N |
Complexity: | 205 |
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: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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