5-(3-Chlorophenyl)-3-hydroxy-2-pyridinecarboxylic Acid - CAS 1415226-40-2
Catalog: |
BB062235 |
Product Name: |
5-(3-Chlorophenyl)-3-hydroxy-2-pyridinecarboxylic Acid |
CAS: |
1415226-40-2 |
Synonyms: |
5-(3-Chlorophenyl)-3-hydroxypicolinic acid; 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid; 5-(3-chlorophenyl)-3-hydroxy-2-pyridinecarboxylic acid |
IUPAC Name: | 5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid |
Molecular Weight: | 249.65 |
Molecular Formula: | C12H8ClNO3 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)O)O |
InChI: | InChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8/h1-6,15H,(H,16,17) |
InChI Key: | KMZAXKDGIXGPOF-UHFFFAOYSA-N |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0192708 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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