[(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'}

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Related Compounds

(3-azido-2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)oxy-trimethylsilane
CID 102045796
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CID 45120427
cis-(2S,3S)-2-azido-3-deuterio-1,1-dimethylcyclopropane
CID 134983841
(3R)-3-azido-4,4-dimethyloxolan-2-one
CID 46737241
3-(2-azidoethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
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(3S)-3-azido-1,1-dimethylcyclopentane
CID 54353995
2-azido-5,5-dimethylcyclohexane-1,3-dione
CID 132544840
(4aS,5R,6R,7R)-6-azido-2-benzyl-7-methyl-1,3,4,5,6,7a-hexahydrocyclopenta[c]pyridine-4a,5,7-triol
CID 10757912
(2S)-2-azido-3-methyloxirane
CID 141301060
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 101103543
5-[(2R,3R,4R)-3-azido-4-fluoro-2-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 123887425

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).