azidomethylselanylbenzene

C7H7N3Se — CID 102311789

IUPACazidomethylselanylbenzene
SMILES[N-]=[N+]=NC[Se]c1ccccc1
InChIInChI=1S/C7H7N3Se/c8-10-9-6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZCOWEVNZNZMCNE-UHFFFAOYSA-N
MW212.11 g/mol
LogP1.28
Rot. Bonds3

About azidomethylselanylbenzene

azidomethylselanylbenzene (PubChem CID 102311789) has the molecular formula C7H7N3Se and a molecular weight of 212.11 g/mol. Its IUPAC name is azidomethylselanylbenzene.

Molecular Properties

Compound Nameazidomethylselanylbenzene
PubChem CID102311789
Molecular FormulaC7H7N3Se
Molecular Weight212.11 g/mol
Exact Mass212.98
IUPAC Nameazidomethylselanylbenzene
SMILES[N-]=[N+]=NC[Se]c1ccccc1
InChIInChI=1S/C7H7N3Se/c8-10-9-6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyZCOWEVNZNZMCNE-UHFFFAOYSA-N
XLogP1.28
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1,7-diazido-6-phenylselanylheptan-2-yl)selanylbenzene
CID 15094075
(1-azido-3-phenylpropan-2-yl)selanylbenzene
CID 15094070
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
1,3,5-tris(azidomethyl)-2,4,6-triphenylbenzene
CID 174786446
azidomethoxymethylbenzene
CID 11171149
[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707
(2-azido-1-bromoethyl)benzene
CID 24972616
3-(azidomethyl)-1,5-diphenylpentan-3-ol
CID 22910028
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
2-azidoethylsulfanylmethylbenzene
CID 61397143
2-azidoethoxymethylbenzene
CID 11116596
1-azido-3-phenylpropan-2-one
CID 14872260

Frequently Asked Questions

What is the IUPAC name of azidomethylselanylbenzene?
The IUPAC name of azidomethylselanylbenzene (CID 102311789) is azidomethylselanylbenzene.
What is the SMILES notation for azidomethylselanylbenzene?
The canonical SMILES for azidomethylselanylbenzene is [N-]=[N+]=NC[Se]c1ccccc1.
What is the InChIKey of azidomethylselanylbenzene?
The InChIKey is ZCOWEVNZNZMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3Se/c8-10-9-6-11-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of azidomethylselanylbenzene?
azidomethylselanylbenzene has a molecular weight of 212.11 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethylselanylbenzene is sourced from PubChem (CID 102311789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).