(3-Hydroxypyridin-2-yl)boronic acid
Basic information
- CAS
1245942-28-2- Standard SMILES
OB(O)c1ncccc1O- InChIKey
SKVZVHMGMYUHQL-UHFFFAOYSA-N- Molecular formula
- C5H6BNO3
- Average molar mass
- 138.92 g/mol
- Monoisotopic mass
- 139.0440732
Names & identifiers
- Preferred name
- (3-Hydroxypyridin-2-yl)boronic acid
- IUPAC
- (3-hydroxy-2-pyridinyl)boronic acid
- English name
- 3-Hydroxypyridine-2-boronic acid
- Molecular formula
- C5H6BNO3
- Molecular weight
- 138.92
Names & synonyms
(3-Hydroxypyridin-2-yl)boronic acid1245942-28-23-Hydroxypyridine-2-boronic acid(3-Hydroxypyridin-2-yl)boronicacid3-Hydroxypyridine-2-boronicacidSCHEMBL29091457SCHEMBL29953696DTXSID80694446AKOS006288317AB48454AT45703DB-057979
Show more names
Boronic acid, B-(3-hydroxy-2-pyridinyl)-
(3-Hydroxypyridin-2-yl)boronic acid, 3-Hydroxypyridine-2-boronic acid, 1245942-28-2, MolPort-021-802-497, AKOS006288317, AB48454, AK119295, KB-207374, (3-HYDROXY-2-PYRIDINYL)BORONIC ACID, 3-HYDROXYPYRIDIN-2-YL-2-BORONIC ACID
Database identifiers
- CAS
1245942-28-2- PubChem CID
- 53398482
- DTXSID
DTXSID80694446
Properties
Computed structural properties
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 491.9 · 491.9±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 7.87 · 7.87±0.58(Predicted)
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Related reactions
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Compound notes
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