(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid
Basic information
- CAS
1309981-44-9- Standard SMILES
COC(=O)c1ccncc1B(O)O- InChIKey
JXUFTTGMXYTBLS-UHFFFAOYSA-N- Molecular formula
- C7H8BNO4
- Average molar mass
- 180.96 g/mol
- Monoisotopic mass
- 181.0546379
Names & identifiers
- Preferred name
- (4-(Methoxycarbonyl)pyridin-3-yl)boronic acid
- IUPAC
- (4-methoxycarbonyl-3-pyridinyl)boronic acid
- English name
- 4-Methoxycarbonylpyridine-3-boronic acid
- Molecular formula
- C7H8BNO4
- Molecular weight
- 180.95
Names & synonyms
(4-(Methoxycarbonyl)pyridin-3-yl)boronic acid1309981-44-94-METHOXYCARBONYLPYRIDINE-3-BORONIC ACID(4-methoxycarbonylpyridin-3-yl)boronic acid[4-(Methoxycarbonyl)pyridin-3-yl]boronic acid(4-(Methoxycarbonyl)pyridin-3-yl)boronicacidSCHEMBL516524DTXSID20694480AKOS006291287DS-016839EN300-2550046(4-methoxycarbonylpyridin-3-yl)boronicacid
Show more names
4-METHOXYCARBONYLPYRIDINE-3-BORONIC ACID PINACOL ESTER
Database identifiers
- CAS
1309981-44-9- PubChem CID
- 53398524
- DTXSID
DTXSID20694480
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 386.9 · 386.9±52.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 6.55 · 6.55±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…