pyridin-2-olate;tetrabutylazanium

C21H40N2O — CID 16656196

IUPACpyridin-2-olate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[O-]c1ccccn1
InChIInChI=1S/C16H36N.C5H5NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-5-3-1-2-4-6-5/h5-16H2,1-4H3;1-4H,(H,6,7)/q+1;/p-1
InChIKeyNUQLARMDVKUNPC-UHFFFAOYSA-M
MW336.56 g/mol
LogP5.16
Rot. Bonds12

About pyridin-2-olate;tetrabutylazanium

pyridin-2-olate;tetrabutylazanium (PubChem CID 16656196) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is pyridin-2-olate;tetrabutylazanium.

Molecular Properties

Compound Namepyridin-2-olate;tetrabutylazanium
PubChem CID16656196
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Namepyridin-2-olate;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[O-]c1ccccn1
InChIInChI=1S/C16H36N.C5H5NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-5-3-1-2-4-6-5/h5-16H2,1-4H3;1-4H,(H,6,7)/q+1;/p-1
InChIKeyNUQLARMDVKUNPC-UHFFFAOYSA-M
XLogP5.16
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-olate;tetrabutylazanium?
The IUPAC name of pyridin-2-olate;tetrabutylazanium (CID 16656196) is pyridin-2-olate;tetrabutylazanium.
What is the SMILES notation for pyridin-2-olate;tetrabutylazanium?
The canonical SMILES for pyridin-2-olate;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.[O-]c1ccccn1.
What is the InChIKey of pyridin-2-olate;tetrabutylazanium?
The InChIKey is NUQLARMDVKUNPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C5H5NO/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-5-3-1-2-4-6-5/h5-16H2,1-4H3;1-4H,(H,6,7)/q+1;/p-1.
What are the key properties of pyridin-2-olate;tetrabutylazanium?
pyridin-2-olate;tetrabutylazanium has a molecular weight of 336.56 g/mol, XLogP of 5.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-olate;tetrabutylazanium is sourced from PubChem (CID 16656196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).