Basic information
- CAS
1310384-01-0- Standard SMILES
Cc1cc([N+](=O)[O-])cnc1B1OC(C)(C)C(C)(C)O1- InChIKey
VWWJGSFCECTYIY-UHFFFAOYSA-N- Molecular formula
- C12H17BN2O4
- Average molar mass
- 264.09 g/mol
- Monoisotopic mass
- 264.1281372
Names & identifiers
- Preferred name
- 3-Methyl-5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 3-methyl-5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 3-METHYL-5-NITROPYRIDINE-2-BORONIC ACID PINACOL ESTER
- Molecular formula
- C12H17BN2O4
- Molecular weight
- 264.09
Names & synonyms
1310384-01-03-Methyl-5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-Methyl-5-nitropyridine-2-boronic acid pinacol esterDTXSID40694467AKOS015950111Pyridine, 3-methyl-5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1310384-01-0- PubChem CID
- 53398505
- DTXSID
DTXSID40694467
Properties
Computed structural properties
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 393.9 · 393.9±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.51 · 1.51±0.39(Predicted)
Chemistry & industry
Suppliers1 total
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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