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Basic information
- CAS
147071-00-9- Standard SMILES
COC(=O)c1cc2cc[nH]c2cn1- InChIKey
JKZKPRSBRUHIER-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- Methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate
- IUPAC
- methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate
- English name
- Methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
Methyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate147071-00-9MFCD077784401H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid, methyl esterSCHEMBL3830369SCHEMBL29721954DTXSID70659302JKZKPRSBRUHIER-UHFFFAOYSA-NMethyl 6-Azaindole-5-carboxylateAKOS006287096FS-3574PB30958
Show more names
Methyl 1H-pyrrolo[2,3-c]p...6-azaindole-5-carboxylic acid Methyl ester
SY097736CS-0007701F215981
Database identifiers
- CAS
147071-00-9- PubChem CID
- 44549263
- DTXSID
DTXSID70659302- EC Number
- 881-180-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 383.1 · 383.1±22.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13.75 · 13.75±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Applications
UsesMethyl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate is used in pharmaceutical synthesis and experimental research.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司
Related reactions
2 records
Compound notes
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