Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
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Basic information
- CAS
197774-66-6- Standard SMILES
CCOC(=O)c1c[nH]cc1-c1ccncc1- InChIKey
JPDVHPANJIDEHD-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate
- English name
- ETHYL 4-PYRIDIN-4-YL-1H-PYRROLE-3-CARBOXYLATE
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate197774-66-6Ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylateMFCD087064651H-Pyrrole-3-carboxylic acid, 4-(4-pyridinyl)-, ethyl esterDTXSID60333063AKOS016000272DS-0967SB62069CS-0151692ethyl 4-(4-pyridyl)-1H-pyrrole-3-carboxylateethyl 4-(4-pyridyl)-
Show more names
Ethyl 4-(4-pyridinyl)-1H-pyrrole-3-carboxylate
DB-230407E60042Ethyl4-(pyridin-4-yl)-1H-pyrrole-3-carboxylateF2152144-Pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- CAS
197774-66-6- PubChem CID
- 479474
- DTXSID
DTXSID60333063- Nikkaji
- J1.322.742J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 451.2 · 451.2±40.0 °C(Predicted)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.26 · 14.26±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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