bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)

C28H44N4O4Sn2 — CID 71510053

IUPACbis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)
SMILESCCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[O-]/N=C(\[O-])c1ccncc1.[O-]/N=C(\[O-])c1ccncc1
InChIInChI=1S/2C6H6N2O2.4C4H9.2Sn/c2*9-6(8-10)5-1-3-7-4-2-5;4*1-3-4-2;;/h2*1-4,10H,(H,8,9);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4
InChIKeyQEWCIXJSRBRFDB-UHFFFAOYSA-J
MW738.11 g/mol
LogP5.63
Rot. Bonds14

About bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)

bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate) (PubChem CID 71510053) has the molecular formula C28H44N4O4Sn2 and a molecular weight of 738.11 g/mol. Its IUPAC name is bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate).

Molecular Properties

Compound Namebis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)
PubChem CID71510053
Molecular FormulaC28H44N4O4Sn2
Molecular Weight738.11 g/mol
Exact Mass740.14
IUPAC Namebis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)
SMILESCCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[O-]/N=C(\[O-])c1ccncc1.[O-]/N=C(\[O-])c1ccncc1
InChIInChI=1S/2C6H6N2O2.4C4H9.2Sn/c2*9-6(8-10)5-1-3-7-4-2-5;4*1-3-4-2;;/h2*1-4,10H,(H,8,9);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4
InChIKeyQEWCIXJSRBRFDB-UHFFFAOYSA-J
XLogP5.63
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.11
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Obidoxime
CID 135412781
Trimedoxime
CID 135539427
Toxogonin
CID 136402098
Pyridinium, 1,1'-tetramethylenebis(4-formyl-, dibromide, dioxime
CID 135441198
1,1'-(Hexane-1,6-diyl)bis(4-(nitrosomethylidene)-1,4-dihydropyridine)--hydrogen bromide (1/2)
CID 135909078
Pyridinium, 1,1'-pentamethylenebis(4-formyl-, diiodide, dioxime
CID 135867705
N-[[1-[[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 8251
Mtmb-4
CID 135937948
Pyridinium, 1,1'-(methyliminodiethylene)bis(4-formyl-, dichloride, dioxime
CID 135959304
but-(2E)-en-1,4-diyl-1,1'-bis(4-hydroxymethylpyridinium) dibromide (13)
CID 129010811
(NE)-N-[[1-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135440423
(NZ)-N-[[1-[[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135705158

Frequently Asked Questions

What is the IUPAC name of bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)?
The IUPAC name of bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate) (CID 71510053) is bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate).
What is the SMILES notation for bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)?
The canonical SMILES for bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate) is CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[O-]/N=C(\[O-])c1ccncc1.[O-]/N=C(\[O-])c1ccncc1.
What is the InChIKey of bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)?
The InChIKey is QEWCIXJSRBRFDB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H6N2O2.4C4H9.2Sn/c2*9-6(8-10)5-1-3-7-4-2-5;4*1-3-4-2;;/h2*1-4,10H,(H,8,9);4*1,3-4H2,2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate)?
bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate) has a molecular weight of 738.11 g/mol, XLogP of 5.63, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutyltin(2+));bis((4Z)-N-oxidopyridine-4-carboximidate) is sourced from PubChem (CID 71510053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).