Basic information
- CAS
849068-50-4- Standard SMILES
CCOC(=O)n1ccc2ccc(Cl)nc21- InChIKey
WWOGRMWUPOAZIT-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0352552
Names & identifiers
- Preferred name
- Ethyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- IUPAC
- ethyl 6-chloropyrrolo[2,3-b]pyridine-1-carboxylate
- English name
- 6-Chloro-1-ethoxycarbonyl-7-azaindole
- Molecular formula
- C10H9ClN2O2
- Molecular weight
- 224.64
Names & synonyms
849068-50-4Ethyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate6-Chloro-1-ethoxycarbonyl-7-azaindoleETHYL 6-CHLOROPYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATEMFCD11845489Ethyl 6-chloro-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate6-Chloro-pyrrolo[2,3-b]pyridine-1-carboxylic acid ethyl esterSCHEMBL4827306DTXSID00694589WWOGRMWUPOAZIT-UHFFFAOYSA-NAKOS022173002SY027048
Show more names
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 6-chloro-, ethyl ester
DB-318094H11075Ethyl6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
Database identifiers
- CAS
849068-50-4- PubChem CID
- 53399248
- DTXSID
DTXSID00694589
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 343.8 · 343.8±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.66 · 0.66±0.30(Predicted)
Chemistry & industry
Suppliers8 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
2 records
Compound notes
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