3-(4-Ethylthiophen-2-yl)pyridine-4-carboxylic acid
Basic information
- CAS
1261950-66-6- Standard SMILES
CCc1csc(-c2cnccc2C(=O)O)c1- InChIKey
QOGRKQVSOVAURB-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- 3-(4-Ethylthiophen-2-yl)pyridine-4-carboxylic acid
- IUPAC
- 3-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
Names & synonyms
DTXSID307031983-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
Database identifiers
- CAS
1261950-66-6- PubChem CID
- 53445643
- DTXSID
DTXSID30703198
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…