Basic information
- CAS
1309982-35-1- Standard SMILES
COC(=O)c1cc(C)nc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
KZRUJMUSRFQBBV-UHFFFAOYSA-N- Molecular formula
- C14H20BNO4
- Average molar mass
- 277.13 g/mol
- Monoisotopic mass
- 277.1485383
Names & identifiers
- Preferred name
- Methyl 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinate
- IUPAC
- methyl 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxylate
- English name
- 4-(Methoxycarbonyl)-6-methylpyridine-2-boronic acid pinacol ester
- Molecular formula
- C14H20BNO4
- Molecular weight
- 277.12
Names & synonyms
1309982-35-1Methyl 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinatemethyl 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxylate4-(Methoxycarbonyl)-6-methylpyridine-2-boronic acid pinacol esterDTXSID70694475AKOS015950195Methyl2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinateAB43443AT40398CS-293022-Methyl-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-isonicotinic acid methyl ester4-Pyridinecarboxylic acid, 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Database identifiers
- CAS
1309982-35-1- PubChem CID
- 53398516
- DTXSID
DTXSID70694475
Properties
Computed structural properties
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
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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