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Basic information
- CAS
1164100-83-7- Standard SMILES
NC(=O)c1ccc(B(O)O)nc1- InChIKey
AGBSBEROHUIBPQ-UHFFFAOYSA-N- Molecular formula
- C6H7BN2O3
- Average molar mass
- 165.94 g/mol
- Monoisotopic mass
- 166.0549723
Names & identifiers
- Preferred name
- 5-Aminocarbonylpyridine-2-boronic acid
- IUPAC
- (5-carbamoyl-2-pyridinyl)boronic acid
Names & synonyms
1164100-83-75-Aminocarbonylpyridine-2-boronic acid(5-carbamoylpyridin-2-yl)boronic acidBoronic acid, B-[5-(aminocarbonyl)-2-pyridinyl]-B-[5-(Aminocarbonyl)-2-pyridinyl]boronic acid5-carbamoylpyridin-2-ylboronic acidSCHEMBL10195693AGBSBEROHUIBPQ-UHFFFAOYSA-NDTXSID001254090DB-060879
Database identifiers
- CAS
1164100-83-7- PubChem CID
- 57747403
- DTXSID
DTXSID001254090
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Related reactions
2 records
Compound notes
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