Basic information
- CAS
942920-50-5- Standard SMILES
Clc1cc(Br)c2cc[nH]c2n1- InChIKey
OATRMIWUNLJMJV-UHFFFAOYSA-N- Molecular formula
- C7H4BrClN2
- Average molar mass
- 231.48 g/mol
- Monoisotopic mass
- 229.92464
Names & identifiers
- Preferred name
- 4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine
- English name
- 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro-
- Molecular formula
- C7H4BrClN2
- Molecular weight
- 231.48
Names & synonyms
4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine942920-50-5DTXSID106469134-Bromo-6-chloro-1H-pyrrolo(2,3-b)pyridineRefChem:290972DTXCID20597664888-575-14-Bromo-6-chloro-7-azaindoleMFCD098801581H-PYRROLO[2,3-B]PYRIDINE, 4-BROMO-6-CHLORO-SCHEMBL4322050AKOS015851080
Show more names
4-BroMo-6-chloro-1H-pyrro...4-Bromo-2-chloro-7H-pyrrolo[2,3-b]pyridine
PB10765AS-33556SY097977CS-0002349AMY27764-bromanyl-6-cFT-0682336A844904
Database identifiers
- CAS
942920-50-5- PubChem CID
- 24729595
- DTXSID
DTXSID10646913- EC Number
- 888-575-1
Properties
Computed structural properties
- XLogP
- 3
- 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
- 155
Physicochemical properties
- Density
- 1.878 · 1.878±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 12.05 · 12.05±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-6-chloro-1H-pyrrolo[2,3-B]pyridine is used in the structure-based drug design of novel potent and selective tetrahydropyrazolo[1,5-a]pyrazines as ATR inhibitors.
Suppliers73 total
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
10 records
Compound notes
Loading…