Basic information
- Standard SMILES
OB(O)c1cncc(OCc2ccccc2)c1- InChIKey
IGKYPUBWQHKLLC-UHFFFAOYSA-N- Molecular formula
- C12H12BNO3
- Average molar mass
- 229.04 g/mol
- Monoisotopic mass
- 229.09102364
Names & identifiers
- Preferred name
- (5-(Benzyloxy)pyridin-3-yl)boronic acid
- IUPAC
- (5-phenylmethoxy-3-pyridinyl)boronic acid
- English name
- (5-(Benzyloxy)pyridin-3-yl)boronic acid
- Molecular formula
- C12H12BNO3
- Molecular weight
- 229.04
Names & synonyms
1190423-61-0(5-(Benzyloxy)pyridin-3-yl)boronic acid5-(Benzyloxy)pyridine-3-boronic acid5-benzyloxypyridine-3-boronic acid(5-phenylmethoxypyridin-3-yl)boronic acidMFCD073750033-BENZYLOXY-PYRIDINE-5-BORONIC ACID[5-(benzyloxy)pyridin-3-yl]boronic acid(5-BENZYLOXY-3-PYRIDYL)BORONIC ACID5-BENZYLOXY-3-PYRIDINYLBORONIC ACIDBoronic acid, B-[5-(phenylmethoxy)-3-pyridinyl]-SCHEMBL2182223
Show more names
CHEMBL3417360DTXSID00694488IGKYPUBWQHKLLC-UHFFFAOYSA-N5-Benzyloxy-3-pyridinylboronicacidAKOS013526879AB40922FD10206PS-12948
Database identifiers
- CAS
1190423-61-0- PubChem CID
- 53398533
- DTXSID
DTXSID00694488- ChEMBL
CHEMBL3417360
Properties
Computed structural properties
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 455.8 · 455.8±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.58 · 3.58±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers28 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
郑州药领医药科技有限公司13526569071 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
上海智乾生物科技有限公司[email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Linked notes
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