6-(Bromomethyl)-2(1H)-pyridinone - CAS 1227563-72-5
Catalog: |
BB062160 |
Product Name: |
6-(Bromomethyl)-2(1H)-pyridinone |
CAS: |
1227563-72-5 |
Synonyms: |
2(1H)-Pyridinone, 6-(bromomethyl)-; 6-(bromomethyl)-1H-pyridin-2-one; 6-(Bromomethyl)pyridin-2(1H)-one; 2-Bromomethyl-6-hydroxypyridine |
IUPAC Name: | 6-(bromomethyl)-1H-pyridin-2-one |
Molecular Weight: | 188.02 |
Molecular Formula: | C6H6BrNO |
Canonical SMILES: | C1=CC(=O)NC(=C1)CBr |
InChI: | InChI=1S/C6H6BrNO/c7-4-5-2-1-3-6(9)8-5/h1-3H,4H2,(H,8,9) |
InChI Key: | XDNZRWSDASMRLU-UHFFFAOYSA-N |
Complexity: | 184 |
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: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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