[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury

C5H8BrHgN3 — CID 134883264

IUPAC[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury
SMILESCC1(C)[C@H]([Hg]Br)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C5H8N3.BrH.Hg/c1-5(2)3-4(5)7-8-6;;/h3-4H,1-2H3;1H;/q;;+1/p-1/t4-;;/m0../s1
InChIKeyWWYJAKJKNQVXED-FHNDMYTFSA-M
MW390.63 g/mol
LogP2.89
Rot. Bonds2

About [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury

[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury (PubChem CID 134883264) has the molecular formula C5H8BrHgN3 and a molecular weight of 390.63 g/mol. Its IUPAC name is [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury.

Molecular Properties

Compound Name[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury
PubChem CID134883264
Molecular FormulaC5H8BrHgN3
Molecular Weight390.63 g/mol
Exact Mass390.96
IUPAC Name[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury
SMILESCC1(C)[C@H]([Hg]Br)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C5H8N3.BrH.Hg/c1-5(2)3-4(5)7-8-6;;/h3-4H,1-2H3;1H;/q;;+1/p-1/t4-;;/m0../s1
InChIKeyWWYJAKJKNQVXED-FHNDMYTFSA-M
XLogP2.89
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 52.89
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'}

Analyze [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury?
The IUPAC name of [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury (CID 134883264) is [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury.
What is the SMILES notation for [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury?
The canonical SMILES for [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury is CC1(C)[C@H]([Hg]Br)[C@@H]1N=[N+]=[N-].
What is the InChIKey of [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury?
The InChIKey is WWYJAKJKNQVXED-FHNDMYTFSA-M. The full InChI is InChI=1S/C5H8N3.BrH.Hg/c1-5(2)3-4(5)7-8-6;;/h3-4H,1-2H3;1H;/q;;+1/p-1/t4-;;/m0../s1.
What are the key properties of [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury?
[(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury has a molecular weight of 390.63 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-azido-2,2-dimethylcyclopropyl]-bromomercury is sourced from PubChem (CID 134883264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).