3-(3-phenoxypropoxy)pyridine

C14H15NO2 — CID 86195847

IUPAC3-(3-phenoxypropoxy)pyridine
SMILESc1ccc(OCCCOc2cccnc2)cc1
InChIInChI=1S/C14H15NO2/c1-2-6-13(7-3-1)16-10-5-11-17-14-8-4-9-15-12-14/h1-4,6-9,12H,5,10-11H2
InChIKeyNIZPLNDIEUXCRP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.93
Rot. Bonds6

About 3-(3-phenoxypropoxy)pyridine

3-(3-phenoxypropoxy)pyridine (PubChem CID 86195847) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-phenoxypropoxy)pyridine.

Molecular Properties

Compound Name3-(3-phenoxypropoxy)pyridine
PubChem CID86195847
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(3-phenoxypropoxy)pyridine
SMILESc1ccc(OCCCOc2cccnc2)cc1
InChIInChI=1S/C14H15NO2/c1-2-6-13(7-3-1)16-10-5-11-17-14-8-4-9-15-12-14/h1-4,6-9,12H,5,10-11H2
InChIKeyNIZPLNDIEUXCRP-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.93
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

3-octadecoxypyridine
CID 175800212
6-pyridin-3-yloxyhexan-1-amine;hydrochloride
CID 131726699
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
3-[2-(azetidin-3-yl)ethoxy]pyridine
CID 107391839
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
2-(2-pyridin-3-yloxyethoxy)ethanamine
CID 103482595
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropoxy)pyridine?
The IUPAC name of 3-(3-phenoxypropoxy)pyridine (CID 86195847) is 3-(3-phenoxypropoxy)pyridine.
What is the SMILES notation for 3-(3-phenoxypropoxy)pyridine?
The canonical SMILES for 3-(3-phenoxypropoxy)pyridine is c1ccc(OCCCOc2cccnc2)cc1.
What is the InChIKey of 3-(3-phenoxypropoxy)pyridine?
The InChIKey is NIZPLNDIEUXCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-6-13(7-3-1)16-10-5-11-17-14-8-4-9-15-12-14/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 3-(3-phenoxypropoxy)pyridine?
3-(3-phenoxypropoxy)pyridine has a molecular weight of 229.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropoxy)pyridine is sourced from PubChem (CID 86195847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).