Methyl 3-chloro-5-{[(2-hydroxyethyl)amino]carbonyl}-1H-pyrrole-2-carboxylate
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Basic information
- Standard SMILES
COC(=O)c1[nH]c(C(=O)NCCO)cc1Cl- InChIKey
MMPYBTVDOWLCNA-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O4
- Average molar mass
- 246.65 g/mol
Names & identifiers
- Preferred name
- Methyl 3-chloro-5-{[(2-hydroxyethyl)amino]carbonyl}-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 3-chloro-5-(2-hydroxyethylcarbamoyl)-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL3033205MMPYBTVDOWLCNA-UHFFFAOYSA-NMethyl 3-chloro-5-{[(2-hydroxyethyl)amino]carbonyl}-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 68487232
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
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Related reactions
4 records
Compound notes
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