3-hexylpyridine

C11H17N — CID 22766

IUPAC3-hexylpyridine
SMILESCCCCCCc1cccnc1
InChIInChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3
InChIKeyLWEQIZSFZFUWIE-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.20
Rot. Bonds5

About 3-hexylpyridine

3-hexylpyridine (PubChem CID 22766) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-hexylpyridine.

Molecular Properties

Compound Name3-hexylpyridine
PubChem CID22766
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-hexylpyridine
SMILESCCCCCCc1cccnc1
InChIInChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3
InChIKeyLWEQIZSFZFUWIE-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of 3-hexylpyridine?
The IUPAC name of 3-hexylpyridine (CID 22766) is 3-hexylpyridine.
What is the SMILES notation for 3-hexylpyridine?
The canonical SMILES for 3-hexylpyridine is CCCCCCc1cccnc1.
What is the InChIKey of 3-hexylpyridine?
The InChIKey is LWEQIZSFZFUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-5-7-11-8-6-9-12-10-11/h6,8-10H,2-5,7H2,1H3.
What are the key properties of 3-hexylpyridine?
3-hexylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexylpyridine is sourced from PubChem (CID 22766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).