2-(5-phenoxypentyl)pyridine;hydrochloride

C16H20ClNO — CID 117067687

IUPAC2-(5-phenoxypentyl)pyridine;hydrochloride
SMILESCl.c1ccc(OCCCCCc2ccccn2)cc1
InChIInChI=1S/C16H19NO.ClH/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15;/h1,4-7,10-13H,2-3,8-9,14H2;1H
InChIKeyOQJWSGNERQDQPZ-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.30
Rot. Bonds7

About 2-(5-phenoxypentyl)pyridine;hydrochloride

2-(5-phenoxypentyl)pyridine;hydrochloride (PubChem CID 117067687) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(5-phenoxypentyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(5-phenoxypentyl)pyridine;hydrochloride
PubChem CID117067687
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-(5-phenoxypentyl)pyridine;hydrochloride
SMILESCl.c1ccc(OCCCCCc2ccccn2)cc1
InChIInChI=1S/C16H19NO.ClH/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15;/h1,4-7,10-13H,2-3,8-9,14H2;1H
InChIKeyOQJWSGNERQDQPZ-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-phenoxyphenoxy)propyl]pyridine
CID 14154439
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(7-phenylheptyl)pyridine
CID 54510986
2-tetradecylpyridine;hydrochloride
CID 45489746
2-undecylpyridine
CID 66882765
9-pyridin-2-ylnonan-1-ol
CID 12680899
4-(5-phenoxypentyl)pyridine
CID 117060417
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenoxypentyl)pyridine;hydrochloride?
The IUPAC name of 2-(5-phenoxypentyl)pyridine;hydrochloride (CID 117067687) is 2-(5-phenoxypentyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(5-phenoxypentyl)pyridine;hydrochloride?
The canonical SMILES for 2-(5-phenoxypentyl)pyridine;hydrochloride is Cl.c1ccc(OCCCCCc2ccccn2)cc1.
What is the InChIKey of 2-(5-phenoxypentyl)pyridine;hydrochloride?
The InChIKey is OQJWSGNERQDQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-4-11-16(12-5-1)18-14-8-2-3-9-15-10-6-7-13-17-15;/h1,4-7,10-13H,2-3,8-9,14H2;1H.
What are the key properties of 2-(5-phenoxypentyl)pyridine;hydrochloride?
2-(5-phenoxypentyl)pyridine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenoxypentyl)pyridine;hydrochloride is sourced from PubChem (CID 117067687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).