2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine

C22H32N2O — CID 57198665

IUPAC2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
SMILESc1ccc(CCCCCCOCCCCCCc2ccccn2)nc1
InChIInChI=1S/C22H32N2O/c1(5-13-21-15-7-9-17-23-21)3-11-19-25-20-12-4-2-6-14-22-16-8-10-18-24-22/h7-10,15-18H,1-6,11-14,19-20H2
InChIKeyISGASWDPDMXVHC-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.40
Rot. Bonds14

About 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine

2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine (PubChem CID 57198665) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine.

Molecular Properties

Compound Name2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
PubChem CID57198665
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
SMILESc1ccc(CCCCCCOCCCCCCc2ccccn2)nc1
InChIInChI=1S/C22H32N2O/c1(5-13-21-15-7-9-17-23-21)3-11-19-25-20-12-4-2-6-14-22-16-8-10-18-24-22/h7-10,15-18H,1-6,11-14,19-20H2
InChIKeyISGASWDPDMXVHC-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
2-undecylpyridine
CID 66882765
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899
6-(2-pyridin-2-ylethoxy)hexanoyl chloride
CID 15166942
7-(2-pyridin-2-ylethoxy)heptan-2-one
CID 23045048
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
N-propan-2-yl-5-(2-pyridin-2-ylethoxy)pentan-1-amine
CID 62455568
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-tetradecylpyridine;hydrochloride
CID 45489746

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine?
The IUPAC name of 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine (CID 57198665) is 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine.
What is the SMILES notation for 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine?
The canonical SMILES for 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine is c1ccc(CCCCCCOCCCCCCc2ccccn2)nc1.
What is the InChIKey of 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine?
The InChIKey is ISGASWDPDMXVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1(5-13-21-15-7-9-17-23-21)3-11-19-25-20-12-4-2-6-14-22-16-8-10-18-24-22/h7-10,15-18H,1-6,11-14,19-20H2.
What are the key properties of 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine?
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine has a molecular weight of 340.51 g/mol, XLogP of 5.40, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine is sourced from PubChem (CID 57198665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).