tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane

C18H32N2O2Sn — CID 142520451

IUPACtributyl-(6-methyl-5-nitro-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C6H5N2O2.3C4H9.Sn/c1-5-6(8(9)10)3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyHYNIPGXSRUHEHQ-UHFFFAOYSA-N
MW427.18 g/mol
LogP5.35
Rot. Bonds11

About tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane

tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane (PubChem CID 142520451) has the molecular formula C18H32N2O2Sn and a molecular weight of 427.18 g/mol. Its IUPAC name is tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane.

Molecular Properties

Compound Nametributyl-(6-methyl-5-nitro-2-pyridinyl)stannane
PubChem CID142520451
Molecular FormulaC18H32N2O2Sn
Molecular Weight427.18 g/mol
Exact Mass428.15
IUPAC Nametributyl-(6-methyl-5-nitro-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C6H5N2O2.3C4H9.Sn/c1-5-6(8(9)10)3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyHYNIPGXSRUHEHQ-UHFFFAOYSA-N
XLogP5.35
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.18
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
tributyl-(4-fluoro-2-nitrophenyl)stannane
CID 23087155
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
N-butyl-3-(6-methyl-5-nitro-2-pyridinyl)prop-2-enamide
CID 71326568
tributyl-(5-methyl-6-phenyl-2-pyridinyl)stannane
CID 67397521
1-(6-methyl-5-nitro-2-pyridinyl)butan-1-imine
CID 174573971
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
2-butyl-3,6-dinitrophenol
CID 101292289
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219

Frequently Asked Questions

What is the IUPAC name of tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane?
The IUPAC name of tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane (CID 142520451) is tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane.
What is the SMILES notation for tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane?
The canonical SMILES for tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane?
The InChIKey is HYNIPGXSRUHEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2.3C4H9.Sn/c1-5-6(8(9)10)3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane?
tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane has a molecular weight of 427.18 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-methyl-5-nitro-2-pyridinyl)stannane is sourced from PubChem (CID 142520451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).