bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate

C38H40Hg2N10O9 — CID 139165368

IUPACbis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
SMILESO.O.O.O.O.[Hg+2].[Hg+2].[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1.[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1
InChIInChI=1S/2C19H17N5O2.2Hg.5H2O/c2*25-18(22-12-14-6-1-3-10-20-14)16-8-5-9-17(24-16)19(26)23-13-15-7-2-4-11-21-15;;;;;;;/h2*1-11H,12-13H2,(H,22,25)(H,23,26);;;5*1H2/q;;2*+2;;;;;/p-4
InChIKeyQGUGIXYNQSJRIV-UHFFFAOYSA-J
MW1181.98 g/mol
LogP-3.16
Rot. Bonds12

About bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate

bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate (PubChem CID 139165368) has the molecular formula C38H40Hg2N10O9 and a molecular weight of 1181.98 g/mol. Its IUPAC name is bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate.

Molecular Properties

Compound Namebis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
PubChem CID139165368
Molecular FormulaC38H40Hg2N10O9
Molecular Weight1181.98 g/mol
Exact Mass1184.24
IUPAC Namebis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
SMILESO.O.O.O.O.[Hg+2].[Hg+2].[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1.[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1
InChIInChI=1S/2C19H17N5O2.2Hg.5H2O/c2*25-18(22-12-14-6-1-3-10-20-14)16-8-5-9-17(24-16)19(26)23-13-15-7-2-4-11-21-15;;;;;;;/h2*1-11H,12-13H2,(H,22,25)(H,23,26);;;5*1H2/q;;2*+2;;;;;/p-4
InChIKeyQGUGIXYNQSJRIV-UHFFFAOYSA-J
XLogP-3.16
TPSA376.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.98
LogP ≤ 5-3.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate?
The IUPAC name of bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate (CID 139165368) is bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate.
What is the SMILES notation for bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate?
The canonical SMILES for bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate is O.O.O.O.O.[Hg+2].[Hg+2].[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1.[O-]/C(=N\Cc1ccccn1)c1cccc(/C([O-])=N\Cc2ccccn2)n1.
What is the InChIKey of bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate?
The InChIKey is QGUGIXYNQSJRIV-UHFFFAOYSA-J. The full InChI is InChI=1S/2C19H17N5O2.2Hg.5H2O/c2*25-18(22-12-14-6-1-3-10-20-14)16-8-5-9-17(24-16)19(26)23-13-15-7-2-4-11-21-15;;;;;;;/h2*1-11H,12-13H2,(H,22,25)(H,23,26);;;5*1H2/q;;2*+2;;;;;/p-4.
What are the key properties of bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate?
bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate has a molecular weight of 1181.98 g/mol, XLogP of -3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate is sourced from PubChem (CID 139165368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).