Basic information
- Standard SMILES
COC(=O)C#Cc1cccnc1- InChIKey
JSDWMTRFFZEDCX-UHFFFAOYSA-N- Molecular formula
- C9H7NO2
- Average molar mass
- 161.16 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(3-Pyridyl)propiolate
- IUPAC
- methyl 3-pyridin-3-ylprop-2-ynoate
Names & synonyms
Methyl 3-(3-Pyridyl)propiolate78584-30-2methyl 3-(pyridin-3-yl)prop-2-ynoatemethyl 3-pyridin-3-ylprop-2-ynoateMFCD18205098Methyl3-(3-Pyridyl)propiolatemethyl 3-pyridylpropiolateSCHEMBL854400SCHEMBL31697750JSDWMTRFFZEDCX-UHFFFAOYSA-Nmethyl 3-(3-pyridyl)prop-2-ynoateAKOS013859474
Show more names
s11689pyridin-3-yl-propynoic acid methyl esterCS-11487DA-32865SY022413EN300-787188F813630F8886-7590
Database identifiers
- PubChem CID
- 12716670
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Related reactions
2 records
Compound notes
Loading…