Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CBr)cn1- InChIKey
XDILPCWHUWASTN-UHFFFAOYSA-N- Molecular formula
- C16H23BrN2O4
- Average molar mass
- 387.27 g/mol
Names & identifiers
- Preferred name
- 5-Bromomethyl-2-(N,N-ditert-butoxycarbonylamino)PY
- IUPAC
- tert-butyl N-[5-(bromomethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL20287605-BROMOMETHYL-2-(N,N-DITERT-BUTOXYCARBONYLAMINO)PYXDILPCWHUWASTN-UHFFFAOYSA-Ndi-tert-butyl [5-(bromomethyl)pyridin-2-yl]imidodicarbonate172349-19-8DA-34911di-tert-butyl[5-(bromomethyl)pyridin-2-yl]imidodicarbonate
Database identifiers
- PubChem CID
- 53418448
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
5 records
Compound notes
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