pyridine-2-carboxylic acid;tetrabutylphosphanium

C22H41NO2P+ — CID 160817396

IUPACpyridine-2-carboxylic acid;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=C(O)c1ccccn1
InChIInChI=1S/C16H36P.C6H5NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(9)5-3-1-2-4-7-5/h5-16H2,1-4H3;1-4H,(H,8,9)/q+1;
InChIKeyJSNILFPFHQCKLC-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.98
Rot. Bonds13

About pyridine-2-carboxylic acid;tetrabutylphosphanium

pyridine-2-carboxylic acid;tetrabutylphosphanium (PubChem CID 160817396) has the molecular formula C22H41NO2P+ and a molecular weight of 382.55 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;tetrabutylphosphanium.

Molecular Properties

Compound Namepyridine-2-carboxylic acid;tetrabutylphosphanium
PubChem CID160817396
Molecular FormulaC22H41NO2P+
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Namepyridine-2-carboxylic acid;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=C(O)c1ccccn1
InChIInChI=1S/C16H36P.C6H5NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(9)5-3-1-2-4-7-5/h5-16H2,1-4H3;1-4H,(H,8,9)/q+1;
InChIKeyJSNILFPFHQCKLC-UHFFFAOYSA-N
XLogP6.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

gadolinium;pyridine-2-carboxylic acid
CID 175231422
1-methyl-3-octyl-2H-imidazole;pyridine-2-carboxylic acid
CID 157351994
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
europium;pyridine-2-carboxylic acid
CID 174808227
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
1-pyridin-2-ylhexan-1-one
CID 556347
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;tetrabutylphosphanium?
The IUPAC name of pyridine-2-carboxylic acid;tetrabutylphosphanium (CID 160817396) is pyridine-2-carboxylic acid;tetrabutylphosphanium.
What is the SMILES notation for pyridine-2-carboxylic acid;tetrabutylphosphanium?
The canonical SMILES for pyridine-2-carboxylic acid;tetrabutylphosphanium is CCCC[P+](CCCC)(CCCC)CCCC.O=C(O)c1ccccn1.
What is the InChIKey of pyridine-2-carboxylic acid;tetrabutylphosphanium?
The InChIKey is JSNILFPFHQCKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.C6H5NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(9)5-3-1-2-4-7-5/h5-16H2,1-4H3;1-4H,(H,8,9)/q+1;.
What are the key properties of pyridine-2-carboxylic acid;tetrabutylphosphanium?
pyridine-2-carboxylic acid;tetrabutylphosphanium has a molecular weight of 382.55 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carboxylic acid;tetrabutylphosphanium is sourced from PubChem (CID 160817396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).