Basic information
- Standard SMILES
COC(=O)c1cnc(-c2cccn2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1- InChIKey
YNCZGKODJDNDMA-UHFFFAOYSA-N- Molecular formula
- C16H17N3O6
- Average molar mass
- 347.32 g/mol
Names & identifiers
- Preferred name
- methyl 6-(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)-5-nitronicotinate
- IUPAC
- methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]-5-nitropyridine-3-carboxylate
Names & synonyms
SCHEMBL1160890YNCZGKODJDNDMA-UHFFFAOYSA-Nmethyl 6-(1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl)-5-nitronicotinate
Database identifiers
- PubChem CID
- 66926258
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 527
Related reactions
5 records
Compound notes
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