5-Bromo-3-cyano-4-methyl-2(1H)-pyridinone - CAS 1142188-69-9
Catalog: |
BB072202 |
Product Name: |
5-Bromo-3-cyano-4-methyl-2(1H)-pyridinone |
CAS: |
1142188-69-9 |
Synonyms: |
5-BROMO-2-HYDROXY-4-METHYLNICOTINONITRILE; 5-Bromo-3-cyano-4-methyl-2(1H)-pyridinone; 5-bromo-4-methyl-2-oxo-1H-pyridine-3-carbonitrile |
IUPAC Name: | 5-bromo-4-methyl-2-oxo-1H-pyridine-3-carbonitrile |
Description: | 5-Bromo-3-cyano-4-methyl-2(1H)-pyridinone |
Molecular Weight: | 264.12 |
Molecular Formula: | C11H10BrN3 |
Canonical SMILES: | CC1=C(C(=O)NC=C1Br)C#N |
InChI: | InChI=1S/C7H5BrN2O/c1-4-5(2-9)7(11)10-3-6(4)8/h3H,1H3,(H,10,11) |
InChI Key: | REOPINQMTRITRR-UHFFFAOYSA-N |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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