Basic information
- CAS
1620574-99-3- Standard SMILES
CC1(C)OB(c2cnc3[nH]cc(C(F)(F)F)c3c2)OC1(C)C- InChIKey
DVKXPIRDGIGZHW-UHFFFAOYSA-N- Molecular formula
- C14H16BF3N2O2
- Average molar mass
- 312.1 g/mol
- Monoisotopic mass
- 312.1256924
Names & identifiers
- Preferred name
- 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- English name
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C14H16BF3N2O2
- Molecular weight
- 312.1
Names & synonyms
1620574-99-35-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridineMFCD182596943-trifluoromethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine3-(Trifluoromethyl)-7-azaindole-5-boronic Acid Pinacol EsterSCHEMBL15882581SCHEMBL30069003DTXSID001119042SB13619SY260755DB-212910CS-0368666
Show more names
F5343061H-Pyrrolo[2,3-b]pyridine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-3-trifluoromethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- CAS
1620574-99-3- PubChem CID
- 90286554
- DTXSID
DTXSID001119042
Properties
Computed structural properties
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C14H16BF3N2O2/c1-12(2)13(3,4)22-15(21-12)8-5-9-10(14(16,17)18)7-20-11(9)19-6-8/h5-7H,1-4H3,(H,19,20)
- InChIKey
- DVKXPIRDGIGZHW-UHFFFAOYSA-N
- SMILES
- C12NC=C(C(F)(F)F)C1=CC(B1OC(C)(C)C(C)(C)O1)=CN=2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers11 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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