4-(5-Chloro-3-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

HCID 59548752
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1
InChIKey
MRBNDLBGJMLUFV-UHFFFAOYSA-N
Molecular formula
C14H19ClN4O4
Average molar mass
342.78 g/mol

Names & identifiers

Preferred name
4-(5-Chloro-3-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-(5-chloro-3-nitro-2-pyridinyl)piperazine-1-carboxylate

Names & synonyms

SCHEMBL113495MRBNDLBGJMLUFV-UHFFFAOYSA-N4-(5-chloro-3-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
59548752

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
91.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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