Basic information
- CAS
1150617-52-9- Standard SMILES
Cc1c(Br)cnc2[nH]ccc12- InChIKey
NWINRLXRPPSXIY-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.97926
Names & identifiers
- Preferred name
- 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
- English name
- 5-Bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C8H7BrN2
- Molecular weight
- 211.06
Names & synonyms
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine1150617-52-9DTXSID306540105-Bromo-4-methyl-1H-pyrrolo(2,3-b)pyridineRefChem:301902DTXCID60604760888-385-95-Bromo-4-Methyl-7-azaindoleMFCD120245331H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-4-METHYL-5-Bromo-4-methyl-7-zazindoleSCHEMBL1565472
Show more names
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine 95%
CS-D0730AKOS015918855AMY9731FS-3695PB26757SY029969DB-0606715-Bromo-4-methyl-1H-pyrrolo[23-b]pyridine
Database identifiers
- CAS
1150617-52-9- PubChem CID
- 40152257
- DTXSID
DTXSID30654010- EC Number
- 888-385-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Density
- 1.654 · 1.654
- storage temp.
- 2 · 2-8°C
- pka
- 13.28 · 13.28±0.40(Predicted)
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C8H7BrN2/c1-5-6-2-3-10-8(6)11-4-7(5)9/h2-4H,1H3,(H,10,11)
- InChIKey
- NWINRLXRPPSXIY-UHFFFAOYSA-N
- SMILES
- C12NC=CC1=C(C)C(Br)=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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Applications
Uses5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine is a pyridine analogue used as a pharmaceutical intermediate for the preparation of small molecule inhibitors.
Suppliers63 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
3 records
Compound notes
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