Basic information
- CAS
42285-29-0- Standard SMILES
CCOC(=O)Cc1ccncc1C#N- InChIKey
QTNNTJJLSYUNJQ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- Ethyl 2-(3-cyanopyridin-4-YL)acetate
- IUPAC
- ethyl 2-(3-cyano-4-pyridinyl)acetate
- English name
- ETHYL 2-(3-CYANOPYRIDIN-4-YL)ACETATE
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
ETHYL 2-(3-CYANOPYRIDIN-4-YL)ACETATE42285-29-0Ethyl 2-(3-Cyano-4-pyridyl)acetateSCHEMBL17377024MFCD27991920SB53649SY384518ETHYL2-(3-CYANOPYRIDIN-4-YL)ACETATEA1-886834-Pyridineacetic acid, 3-cyano-, ethyl ester
Database identifiers
- CAS
42285-29-0- PubChem CID
- 14108229
- Nikkaji
- J3.320.710G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 309.5 · 309.5±27.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.18(Predicted)
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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