pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury

C18H18Hg2N2O6 — CID 16683664

IUPACpyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury
SMILESO=C(O[Hg]CC1COC(C[Hg]OC(=O)c2cccnc2)CO1)c1cccnc1
InChIInChI=1S/2C6H5NO2.C6H10O2.2Hg/c2*8-6(9)5-2-1-3-7-4-5;1-5-3-8-6(2)4-7-5;;/h2*1-4H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2
InChIKeyFIYCYVBPIDIJRV-UHFFFAOYSA-L
MW759.53 g/mol
LogP2.11
Rot. Bonds8

About pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury

pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury (PubChem CID 16683664) has the molecular formula C18H18Hg2N2O6 and a molecular weight of 759.53 g/mol. Its IUPAC name is pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury.

Molecular Properties

Compound Namepyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury
PubChem CID16683664
Molecular FormulaC18H18Hg2N2O6
Molecular Weight759.53 g/mol
Exact Mass762.06
IUPAC Namepyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury
SMILESO=C(O[Hg]CC1COC(C[Hg]OC(=O)c2cccnc2)CO1)c1cccnc1
InChIInChI=1S/2C6H5NO2.C6H10O2.2Hg/c2*8-6(9)5-2-1-3-7-4-5;1-5-3-8-6(2)4-7-5;;/h2*1-4H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2
InChIKeyFIYCYVBPIDIJRV-UHFFFAOYSA-L
XLogP2.11
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500759.53
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
[(3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate
CID 170219804
(oxetan-2-ylmethylamino) pyridine-3-carboxylate
CID 166709002
[2-methoxy-4-(oxiran-2-ylmethyl)phenyl] pyridine-3-carboxylate
CID 44624842
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(5-hydroxyoxolan-2-yl)methyl pyridine-3-carboxylate
CID 169177178
(111C)methyl pyridine-3-carboxylate
CID 11309537
hydrazinyl pyridine-3-carboxylate
CID 22603598
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193

Frequently Asked Questions

What is the IUPAC name of pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury?
The IUPAC name of pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury (CID 16683664) is pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury.
What is the SMILES notation for pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury?
The canonical SMILES for pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury is O=C(O[Hg]CC1COC(C[Hg]OC(=O)c2cccnc2)CO1)c1cccnc1.
What is the InChIKey of pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury?
The InChIKey is FIYCYVBPIDIJRV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.C6H10O2.2Hg/c2*8-6(9)5-2-1-3-7-4-5;1-5-3-8-6(2)4-7-5;;/h2*1-4H,(H,8,9);5-6H,1-4H2;;/q;;;2*+1/p-2.
What are the key properties of pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury?
pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury has a molecular weight of 759.53 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-carbonyloxy-[[5-(pyridine-3-carbonyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury is sourced from PubChem (CID 16683664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).