Basic information
- CAS
7546-52-3- Standard SMILES
COC(=O)Cc1c(C)[nH]c2ncccc12- InChIKey
YNBGGUBQXVTLST-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
Names & identifiers
- Preferred name
- methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
- IUPAC
- methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
- English name
- Methyl(2-methyl-1H-pyrrolo[2,3-b]pyridine 3-yl)acetate
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
7546-52-3methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetateMethyl 2-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}acetateMFCD20484523SCHEMBL1939157YNBGGUBQXVTLST-UHFFFAOYSA-NSB14616DB-343206CS-0056512P12772methyl2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid methyl ester
Show more names
Methyl(2-methyl-1H-pyrrolo[2,3-b]pyridine 3-yl)acetate1H-Pyrrolo[2,3-b]pyridine-3-acetic acid, 2-methyl-, methyl ester
Database identifiers
- CAS
7546-52-3- PubChem CID
- 67218699
- EC Number
- 805-443-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
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
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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
- 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.
Suppliers8 total
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
常州市新纪元医药化工咨询有限公司17317567081 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
118 records
Compound notes
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