Basic information
- CAS
1188024-84-1- Standard SMILES
CCOC(=O)c1c[nH]cc1-c1cccnc1- InChIKey
VZXREBRDYJTSIN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- Ethyl 4-(pyridin-3-yl)-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
- English name
- Ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.23588
Names & synonyms
Ethyl 4-(pyridin-3-yl)-1H-pyrrole-3-carboxylate1188024-84-1Ethyl4-(pyridin-3-yl)-1H-pyrrole-3-carboxylateDTXSID40695419SB63763Ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
Database identifiers
- CAS
1188024-84-1- PubChem CID
- 53404665
- DTXSID
DTXSID40695419
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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