1-octyl-2H-pyridine;hydrochloride

C13H24ClN — CID 69369892

IUPAC1-octyl-2H-pyridine;hydrochloride
SMILESCCCCCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12H,2-6,8,11,13H2,1H3;1H
InChIKeyOCHFPZQEPXKOFC-UHFFFAOYSA-N
MW229.79 g/mol
LogP4.15
Rot. Bonds7

About 1-octyl-2H-pyridine;hydrochloride

1-octyl-2H-pyridine;hydrochloride (PubChem CID 69369892) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-octyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-octyl-2H-pyridine;hydrochloride
PubChem CID69369892
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-octyl-2H-pyridine;hydrochloride
SMILESCCCCCCCCN1C=CC=CC1.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12H,2-6,8,11,13H2,1H3;1H
InChIKeyOCHFPZQEPXKOFC-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 54.15
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 1-octyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-octyl-2H-pyridine;hydrochloride (CID 69369892) is 1-octyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-octyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-octyl-2H-pyridine;hydrochloride is CCCCCCCCN1C=CC=CC1.Cl.
What is the InChIKey of 1-octyl-2H-pyridine;hydrochloride?
The InChIKey is OCHFPZQEPXKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12H,2-6,8,11,13H2,1H3;1H.
What are the key properties of 1-octyl-2H-pyridine;hydrochloride?
1-octyl-2H-pyridine;hydrochloride has a molecular weight of 229.79 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 69369892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).