2-pentyl-3-phenoxypyridine

C16H19NO — CID 173046802

IUPAC2-pentyl-3-phenoxypyridine
SMILESCCCCCc1ncccc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-3-5-11-15-16(12-8-13-17-15)18-14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyXHARRYFIGKIEGU-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.61
Rot. Bonds6

About 2-pentyl-3-phenoxypyridine

2-pentyl-3-phenoxypyridine (PubChem CID 173046802) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-pentyl-3-phenoxypyridine.

Molecular Properties

Compound Name2-pentyl-3-phenoxypyridine
PubChem CID173046802
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-pentyl-3-phenoxypyridine
SMILESCCCCCc1ncccc1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-2-3-5-11-15-16(12-8-13-17-15)18-14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3
InChIKeyXHARRYFIGKIEGU-UHFFFAOYSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.61
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

3-methoxy-2-octylpyridine
CID 102048148
4-pentyl-3-phenoxypyridine
CID 173046751
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-nonyl-3-(4-phenylphenoxy)pyrazine
CID 20979288
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
1-ethyl-2-octyl-3-phenoxybenzene
CID 141216641
2-dodecyl-3-ethylpyridine
CID 160514040
2-octylpyridin-3-amine
CID 23131469
sodium;1,2-didodecyl-3-phenoxybenzene;hydride
CID 173221313
2-(bromomethyl)-3-pyridin-4-yloxypyridine
CID 86110548
2-(phenoxymethyl)-3-propoxypyridine
CID 174392620
azane;2-butyl-3-methylpyridine
CID 175305988

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-3-phenoxypyridine?
The IUPAC name of 2-pentyl-3-phenoxypyridine (CID 173046802) is 2-pentyl-3-phenoxypyridine.
What is the SMILES notation for 2-pentyl-3-phenoxypyridine?
The canonical SMILES for 2-pentyl-3-phenoxypyridine is CCCCCc1ncccc1Oc1ccccc1.
What is the InChIKey of 2-pentyl-3-phenoxypyridine?
The InChIKey is XHARRYFIGKIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-5-11-15-16(12-8-13-17-15)18-14-9-6-4-7-10-14/h4,6-10,12-13H,2-3,5,11H2,1H3.
What are the key properties of 2-pentyl-3-phenoxypyridine?
2-pentyl-3-phenoxypyridine has a molecular weight of 241.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-phenoxypyridine is sourced from PubChem (CID 173046802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).