4-chloro-3-ethyl-2-hexadecylpyridine

C23H40ClN — CID 141449110

IUPAC4-chloro-3-ethyl-2-hexadecylpyridine
SMILESCCCCCCCCCCCCCCCCc1nccc(Cl)c1CC
InChIInChI=1S/C23H40ClN/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(4-2)22(24)19-20-25-23/h19-20H,3-18H2,1-2H3
InChIKeyIETNWJIDVGZONT-UHFFFAOYSA-N
MW366.03 g/mol
LogP8.32
Rot. Bonds16

About 4-chloro-3-ethyl-2-hexadecylpyridine

4-chloro-3-ethyl-2-hexadecylpyridine (PubChem CID 141449110) has the molecular formula C23H40ClN and a molecular weight of 366.03 g/mol. Its IUPAC name is 4-chloro-3-ethyl-2-hexadecylpyridine.

Molecular Properties

Compound Name4-chloro-3-ethyl-2-hexadecylpyridine
PubChem CID141449110
Molecular FormulaC23H40ClN
Molecular Weight366.03 g/mol
Exact Mass365.28
IUPAC Name4-chloro-3-ethyl-2-hexadecylpyridine
SMILESCCCCCCCCCCCCCCCCc1nccc(Cl)c1CC
InChIInChI=1S/C23H40ClN/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(4-2)22(24)19-20-25-23/h19-20H,3-18H2,1-2H3
InChIKeyIETNWJIDVGZONT-UHFFFAOYSA-N
XLogP8.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-3-ethyl-2-hexadecylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decyl-3,4-diethylpyridine
CID 150975827
2-dodecyl-3-ethylpyridine
CID 160514040
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
3,4-dimethyl-2-pentylpyridine
CID 86118015
3-ethyl-2-methyl-4-octylpyridine
CID 175330346
1-dodecylisoquinoline;hydroiodide
CID 173144441
2-chloro-4-pentadecylpyridine
CID 174517606
4-chloro-2-heptylpyridine
CID 166820805
2-chloro-4-hexadecylpyridine
CID 170566187
2-octylpyridin-3-amine
CID 23131469
2-hexyl-3-hydroxypyridine-4-carbonitrile
CID 146507438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-2-hexadecylpyridine?
The IUPAC name of 4-chloro-3-ethyl-2-hexadecylpyridine (CID 141449110) is 4-chloro-3-ethyl-2-hexadecylpyridine.
What is the SMILES notation for 4-chloro-3-ethyl-2-hexadecylpyridine?
The canonical SMILES for 4-chloro-3-ethyl-2-hexadecylpyridine is CCCCCCCCCCCCCCCCc1nccc(Cl)c1CC.
What is the InChIKey of 4-chloro-3-ethyl-2-hexadecylpyridine?
The InChIKey is IETNWJIDVGZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40ClN/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(4-2)22(24)19-20-25-23/h19-20H,3-18H2,1-2H3.
What are the key properties of 4-chloro-3-ethyl-2-hexadecylpyridine?
4-chloro-3-ethyl-2-hexadecylpyridine has a molecular weight of 366.03 g/mol, XLogP of 8.32, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-2-hexadecylpyridine is sourced from PubChem (CID 141449110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).