Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
Basic information
- CAS
70705-33-8- Standard SMILES
CCOC(=O)c1cn2ccc(C)cc2n1- InChIKey
AVYYNZWWGNNXRW-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- Ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
- IUPAC
- ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
- English name
- 7-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
ethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate70705-33-87-Methylimidazo[1,2-a]pyridine-2-carboxylic acid ethyl esterMFCD021875267-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl esterOprea1_479972AB11567SY0141527-methyl-imidazo[1,2-a]pyridine-2-carboxylic acidethyl esterethyl 7-methylimidazo(1,2-a)pyridine-2-carboxylateAVYYNZWWGNNXFT-0680299
Show more names
7-methyl-2-imidazo[1,2-a]pyridinecarboxylic acidmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylateImidazo[1,2-a]pyridine-2-carboxylic acid, 7-methyl-, ethyl ester7-METHYL-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER ISO 9001：2015 REACH
Oprea1_426344MLS000718464ethyl 7-methylH-imidazo[1,2-a]pyridine-2-carboxylateSCHEMBL1445451CHEMBL1327155DTXSID60357683AVYYNZWWGNNXRW-UHFFFAOYSA-NHMS2691I16
Database identifiers
- CAS
70705-33-8- PubChem CID
- 860187
- DTXSID
DTXSID60357683- ChEMBL
CHEMBL1327155
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Solubility>30.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 126 · 126-129°
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.92 · 3.92±0.50(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-5-4-8(2)6-10(13)12-9/h4-7H,3H2,1-2H3
- InChIKey
- AVYYNZWWGNNXRW-UHFFFAOYSA-N
- SMILES
- C12=NC(C(OCC)=O)=CN1C=CC(C)=C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Suppliers
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Related reactions
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Compound notes
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