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2-(6-Bromo-pyridazin-3-yloxy)-(1-piperidin-1-yl)-ethanone

HCID 86638121
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(COc1ccc(Br)nn1)N1CCCCC1
InChIKey
CCSDNQZZEKJQNU-UHFFFAOYSA-N
Molecular formula
C11H14BrN3O2
Average molar mass
300.15 g/mol

Names & identifiers

Preferred name
2-(6-Bromo-pyridazin-3-yloxy)-(1-piperidin-1-yl)-ethanone
IUPAC
2-(6-bromopyridazin-3-yl)oxy-1-piperidin-1-ylethanone

Names & synonyms

2-(6-Bromo-pyridazin-3-yloxy)-(1-piperidin-1-yl)-ethanoneSCHEMBL3164153CCSDNQZZEKJQNU-UHFFFAOYSA-N

Database identifiers

PubChem CID
86638121

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
55.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
259

Related reactions

4 records
New reaction record
HRID 1121596 reaction equation
HRID 1121596As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1557253 reaction equation
HRID 1557253As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1931385 reaction equation
HRID 1931385As productuspto-grants-2012_05
HRID 1931386 reaction equation
HRID 1931386As reactantuspto-grants-2012_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes