3-chloro-5-octylpyridine

C13H20ClN — CID 138579116

IUPAC3-chloro-5-octylpyridine
SMILESCCCCCCCCc1cncc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-2-3-4-5-6-7-8-12-9-13(14)11-15-10-12/h9-11H,2-8H2,1H3
InChIKeyWJOWEPWLHUXESY-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.64
Rot. Bonds7

About 3-chloro-5-octylpyridine

3-chloro-5-octylpyridine (PubChem CID 138579116) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 3-chloro-5-octylpyridine.

Molecular Properties

Compound Name3-chloro-5-octylpyridine
PubChem CID138579116
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name3-chloro-5-octylpyridine
SMILESCCCCCCCCc1cncc(Cl)c1
InChIInChI=1S/C13H20ClN/c1-2-3-4-5-6-7-8-12-9-13(14)11-15-10-12/h9-11H,2-8H2,1H3
InChIKeyWJOWEPWLHUXESY-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-pentylpyridine
CID 59945518
3-chloro-5-ethylpyridine;ethane
CID 143545775
1-chloro-3-octylbenzene
CID 11458768
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
2-chloro-3-(chloromethyl)-5-pentylpyridine
CID 44613258
2,5-dichloro-3-hexylpyridine
CID 87077345
2-chloro-4-hexadecylpyridine
CID 170566187
3-butyl-5-ethenylpyridine
CID 18679137
2-chloro-4-pentadecylpyridine
CID 174517606
5-butylpyridin-3-amine;ethane;molecular hydrogen
CID 164917001
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-octylpyridine?
The IUPAC name of 3-chloro-5-octylpyridine (CID 138579116) is 3-chloro-5-octylpyridine.
What is the SMILES notation for 3-chloro-5-octylpyridine?
The canonical SMILES for 3-chloro-5-octylpyridine is CCCCCCCCc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-octylpyridine?
The InChIKey is WJOWEPWLHUXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-2-3-4-5-6-7-8-12-9-13(14)11-15-10-12/h9-11H,2-8H2,1H3.
What are the key properties of 3-chloro-5-octylpyridine?
3-chloro-5-octylpyridine has a molecular weight of 225.76 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-octylpyridine is sourced from PubChem (CID 138579116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).