3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine

HCID 180886
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Basic information

CAS
100553-56-8
Standard SMILES
O=[N+]([O-])C=C1NCCN1Cc1cccnc1
InChIKey
PWHOPRHAWMKNIM-UHFFFAOYSA-N
Molecular formula
C10H12N4O2
Average molar mass
220.23 g/mol
Monoisotopic mass
220.09602562

Names & identifiers

Preferred name
3-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine
IUPAC
3-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine

Names & synonyms

100553-56-83-[[2-(Nitromethylene)-1-imidazolidinyl]methyl]pyridine3-((2-(Nitromethylene)-1-imidazolidinyl)methyl)pyridineRefChem:2728831-(5-pyridylmethyl)-2-(nitromethylene)imidazolidineSCHEMBL5197911PWHOPRHAWMKNIM-UHFFFAOYSA-NDTXSID3012041751-(pyridin-3-yl-methyl)-2-nitromethylene-imidazolidine3-{[2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine

Database identifiers

CAS
100553-56-8
PubChem CID
180886
DTXSID
DTXSID301204175

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
74 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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