Basic information
- CAS
1036028-17-7- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cc(C)cnc32)cc1- InChIKey
VBVMZWKIPYDSON-UHFFFAOYSA-N- Molecular formula
- C21H25BN2O4S
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 412.16280868
Names & identifiers
- Preferred name
- 5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- Molecular formula
- C21H25BN2O4S
- Molecular weight
- 412.31
Names & synonyms
1036028-17-75-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 5-methyl-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine5-Methyl-1-tosyl-7-azaindole-3-boronic acid pinacol esterMFCD15529467SCHEMBL3502348VBVMZWKIPYDSON-UHFFFAOYSA-NDTXSID401107916SB16058SY348052DB-306788
Show more names
5-Methyl-1-[(4-methylphenyl)sulfonyl]-7-azaindole-3-boronic acid pinacol ester
CS-0005008P11819(5-METHYL-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER5-Methyl-1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- CAS
1036028-17-7- PubChem CID
- 57774334
- DTXSID
DTXSID401107916
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- storage temp.
- Store at Room Tem.
- 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 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
Suppliers4 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
4 records
Compound notes
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