2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
Basic information
- CAS
7546-52-3- Standard SMILES
Cc1[nH]c2ncccc2c1C(C)C(=O)[O-]- InChIKey
QKCVGPRJHCAYFL-UHFFFAOYSA-M- Molecular formula
- C11H11N2O2-
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.0820526
Names & identifiers
- Preferred name
- 2-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
- IUPAC
- 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
- English name
- Methyl(2-methyl-1H-pyrrolo[2,3-b]pyridine 3-yl)acetate
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
DTXSID307036982-(2-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate2-{2-METHYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}PROPANOATEC11H11N2O2-METHYL(2-METHYL-1H-PYRROLO[2,3-B]PYRIDINE 3-YL)ACETATEmethyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 2-methyl-, methyl ester
Database identifiers
- CAS
7546-52-3- PubChem CID
- 53471622
- DTXSID
DTXSID30703698
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 251
Physicochemical properties
- Boiling point
- 415 · 415.0±37.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 7.15 · 7.15±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H332-H314-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H332-H314-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesMethyl 2-(2-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)acetate is used as a reagent in the preparation of Fevipiprant, a Potent and Selective DP2 Receptor Antagonist for Treatment of Asthma.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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