Basic information
- CAS
125294-42-0- Standard SMILES
CC(C)OC(=O)c1ccncc1- InChIKey
FBDVYRNKUYCAGB-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Isopropyl isonicotinate
- IUPAC
- propan-2-yl pyridine-4-carboxylate
Names & synonyms
125294-42-0ISOPROPYL ISONICOTINATEDTXSID60333427RefChem:349825DTXCID70284517isopropyl pyridine-4-carboxylatepropan-2-yl pyridine-4-carboxylateSCHEMBL552612SCHEMBL3015986SCHEMBL3015987SCHEMBL3028741CHEMBL2251605
Show more names
Isonicotinic acid, isopropyl esterAKOS008948220Z53833082
Database identifiers
- CAS
125294-42-0- PubChem CID
- 504307
- DTXSID
DTXSID60333427- ChEMBL
CHEMBL2251605- Nikkaji
- J1.711.721A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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