Methyl 5-acetamidopyridine-3-carboxylate - CAS 109737-31-7
Catalog: |
BB059997 |
Product Name: |
Methyl 5-acetamidopyridine-3-carboxylate |
CAS: |
109737-31-7 |
Synonyms: |
methyl 5-acetamidopyridine-3-carboxylate; Methyl 5-acetamidonicotinate; 3-Pyridinecarboxylicacid,5-(acetylamino)-,methylester(9CI); methyl5-acetamidopyridine-3-carboxylate |
IUPAC Name: | methyl 5-acetamidopyridine-3-carboxylate |
Description: | Methyl 5-acetamidopyridine-3-carboxylate |
Molecular Weight: | 194.19 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | CC(=O)NC1=CN=CC(=C1)C(=O)OC |
InChI: | InChI=1S/C9H10N2O3/c1-6(12)11-8-3-7(4-10-5-8)9(13)14-2/h3-5H,1-2H3,(H,11,12) |
InChI Key: | LUGPHYQLAJRAHM-UHFFFAOYSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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