1-hexyl-2H-pyridine;hydrochloride

C11H20ClN — CID 141192021

IUPAC1-hexyl-2H-pyridine;hydrochloride
SMILESCCCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C11H19N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10H,2-4,6,9,11H2,1H3;1H
InChIKeyVZEXBFGSXLYLKX-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.37
Rot. Bonds5

About 1-hexyl-2H-pyridine;hydrochloride

1-hexyl-2H-pyridine;hydrochloride (PubChem CID 141192021) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 1-hexyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-hexyl-2H-pyridine;hydrochloride
PubChem CID141192021
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name1-hexyl-2H-pyridine;hydrochloride
SMILESCCCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C11H19N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10H,2-4,6,9,11H2,1H3;1H
InChIKeyVZEXBFGSXLYLKX-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.37
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

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aluminum;1-butyl-2H-pyridine;trichloride
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1-butyl-2H-pyridine;hydron;tetrafluoroborate
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1-butyl-2H-pyridine;2-octylpyridine
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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-hexyl-2H-pyridine;hydrochloride (CID 141192021) is 1-hexyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-hexyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-hexyl-2H-pyridine;hydrochloride is CCCCCCN1C=CC=CC1.Cl.
What is the InChIKey of 1-hexyl-2H-pyridine;hydrochloride?
The InChIKey is VZEXBFGSXLYLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10H,2-4,6,9,11H2,1H3;1H.
What are the key properties of 1-hexyl-2H-pyridine;hydrochloride?
1-hexyl-2H-pyridine;hydrochloride has a molecular weight of 201.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 141192021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).