2-Carbamoylpyridine-3-boronic acid - CAS 1412415-69-0
Catalog: |
BB070642 |
Product Name: |
2-Carbamoylpyridine-3-boronic acid |
CAS: |
1412415-69-0 |
Synonyms: |
2-Carbamoylpyridine-3-boronic acid; (2-carbamoylpyridin-3-yl)boronic acid; 2-Carbamoylpyridine-3-boronicacid; 3-BORONOPYRIDINE-2-CARBOXAMIDE |
IUPAC Name: | (2-carbamoylpyridin-3-yl)boronic acid |
Molecular Weight: | 165.94 |
Molecular Formula: | C6H7BN2O3 |
Canonical SMILES: | B(C1=C(N=CC=C1)C(=O)N)(O)O |
InChI: | InChI=1S/C6H7BN2O3/c8-6(10)5-4(7(11)12)2-1-3-9-5/h1-3,11-12H,(H2,8,10) |
InChI Key: | SMFVUCBLCVLVRI-UHFFFAOYSA-N |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0549723 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0549723 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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