2-(2-Amino-5-bromo-3-hydroxybenzoyl)pyridine - CAS 40951-53-9
Catalog: |
BB074988 |
Product Name: |
2-(2-Amino-5-bromo-3-hydroxybenzoyl)pyridine |
CAS: |
40951-53-9 |
Synonyms: |
(2-Amino-5-bromo-3-hydroxyphenyl)-2-pyridinylmethanone; 2-Amino-3-hydroxy-5-bromobenzoylpyridine;3-Hydroxy-2-amino-5-bromobenzoylpyridine |
IUPAC Name: | (2-amino-5-bromo-3-hydroxyphenyl)-pyridin-2-ylmethanone |
Molecular Weight: | 293.12 |
Molecular Formula: | C12H9BrN2O2 |
Canonical SMILES: | C1=CC=NC(=C1)C(=O)C2=C(C(=CC(=C2)Br)O)N |
InChI: | InChI=1S/C12H9BrN2O2/c13-7-5-8(11(14)10(16)6-7)12(17)9-3-1-2-4-15-9/h1-6,16H,14H2 |
InChI Key: | KUOBJQMVMPYLLN-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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