3-chloro-5-pentylpyridine

C10H14ClN — CID 59945518

IUPAC3-chloro-5-pentylpyridine
SMILESCCCCCc1cncc(Cl)c1
InChIInChI=1S/C10H14ClN/c1-2-3-4-5-9-6-10(11)8-12-7-9/h6-8H,2-5H2,1H3
InChIKeyQAIBOWRAKDAOEJ-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-5-pentylpyridine

3-chloro-5-pentylpyridine (PubChem CID 59945518) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-chloro-5-pentylpyridine.

Molecular Properties

Compound Name3-chloro-5-pentylpyridine
PubChem CID59945518
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-chloro-5-pentylpyridine
SMILESCCCCCc1cncc(Cl)c1
InChIInChI=1S/C10H14ClN/c1-2-3-4-5-9-6-10(11)8-12-7-9/h6-8H,2-5H2,1H3
InChIKeyQAIBOWRAKDAOEJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.47
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-octylpyridine
CID 138579116
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-pentylpyridine?
The IUPAC name of 3-chloro-5-pentylpyridine (CID 59945518) is 3-chloro-5-pentylpyridine.
What is the SMILES notation for 3-chloro-5-pentylpyridine?
The canonical SMILES for 3-chloro-5-pentylpyridine is CCCCCc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-pentylpyridine?
The InChIKey is QAIBOWRAKDAOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-2-3-4-5-9-6-10(11)8-12-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 3-chloro-5-pentylpyridine?
3-chloro-5-pentylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pentylpyridine is sourced from PubChem (CID 59945518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).