3,4,5-tributylpyridine

C17H29N — CID 173010708

IUPAC3,4,5-tributylpyridine
SMILESCCCCc1cncc(CCCC)c1CCCC
InChIInChI=1S/C17H29N/c1-4-7-10-15-13-18-14-16(11-8-5-2)17(15)12-9-6-3/h13-14H,4-12H2,1-3H3
InChIKeySCXQVUSQETYHRQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.11
Rot. Bonds9

About 3,4,5-tributylpyridine

3,4,5-tributylpyridine (PubChem CID 173010708) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3,4,5-tributylpyridine.

Molecular Properties

Compound Name3,4,5-tributylpyridine
PubChem CID173010708
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3,4,5-tributylpyridine
SMILESCCCCc1cncc(CCCC)c1CCCC
InChIInChI=1S/C17H29N/c1-4-7-10-15-13-18-14-16(11-8-5-2)17(15)12-9-6-3/h13-14H,4-12H2,1-3H3
InChIKeySCXQVUSQETYHRQ-UHFFFAOYSA-N
XLogP5.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetrabutylbenzene
CID 11220391
1,2,3-tributylbenzene;hydrate
CID 172716323
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
(4-butyl-3-pyridinyl)methanol
CID 173058896
5-butyl-1,2,3-tridodecylbenzene
CID 91450595
3,4,5-tributyl-N,N-dimethylaniline
CID 170058767
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
2,3-dibutyl-5-methylphenol
CID 151375054
2-butyl-1-octyl-3-propylbenzene
CID 141216645

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tributylpyridine?
The IUPAC name of 3,4,5-tributylpyridine (CID 173010708) is 3,4,5-tributylpyridine.
What is the SMILES notation for 3,4,5-tributylpyridine?
The canonical SMILES for 3,4,5-tributylpyridine is CCCCc1cncc(CCCC)c1CCCC.
What is the InChIKey of 3,4,5-tributylpyridine?
The InChIKey is SCXQVUSQETYHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-7-10-15-13-18-14-16(11-8-5-2)17(15)12-9-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 3,4,5-tributylpyridine?
3,4,5-tributylpyridine has a molecular weight of 247.43 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tributylpyridine is sourced from PubChem (CID 173010708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).