Basic information
- CAS
2225175-41-5- Standard SMILES
COC(=O)c1cc(B(O)O)c(C)cn1- InChIKey
GHRGYUOJAFUJQO-UHFFFAOYSA-N- Molecular formula
- C8H10BNO4
- Average molar mass
- 194.98 g/mol
Names & identifiers
- Preferred name
- 2-(Methoxycarbonyl)-5-methylpyridine-4-boronic acid
- IUPAC
- (2-methoxycarbonyl-5-methyl-4-pyridinyl)boronic acid
- English name
- 5-Methyl-2-(methoxycarbonyl)pyridine-4-boronic acid
- Molecular formula
- C8H10BNO4
- Molecular weight
- 194.98
Names & synonyms
2-(Methoxycarbonyl)-5-methylpyridine-4-boronic acid2225175-41-5[2-(methoxycarbonyl)-5-methylpyridin-4-yl]boronic acidMFCD24448935AT14718CS-35330CS-0178070EN300-805096(2-methoxycarbonyl-5-methyl-4-pyridyl)boronic acid2-(Methoxycarbonyl)-5-methylpyridine-4-boronicacid5-Methyl-2-(methoxycarbonyl)pyridine-4-boronic acid(2-methoxycarbonyl-5-methylpyridin-4-yl)boronic acid
Database identifiers
- CAS
2225175-41-5
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 418 · 418.0±55.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.58(Predicted)
Chemistry & industry
Suppliers4 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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