4-pentoxypyridine

C10H15NO — CID 23560340

IUPAC4-pentoxypyridine
SMILESCCCCCOc1ccncc1
InChIInChI=1S/C10H15NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyCNTKNYFURMYCEO-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.65
Rot. Bonds5

About 4-pentoxypyridine

4-pentoxypyridine (PubChem CID 23560340) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-pentoxypyridine.

Molecular Properties

Compound Name4-pentoxypyridine
PubChem CID23560340
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-pentoxypyridine
SMILESCCCCCOc1ccncc1
InChIInChI=1S/C10H15NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5-8H,2-4,9H2,1H3
InChIKeyCNTKNYFURMYCEO-UHFFFAOYSA-N
XLogP2.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.65
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

1,4-dipentoxybenzene
CID 18314717
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
CID 69499097
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485

Frequently Asked Questions

What is the IUPAC name of 4-pentoxypyridine?
The IUPAC name of 4-pentoxypyridine (CID 23560340) is 4-pentoxypyridine.
What is the SMILES notation for 4-pentoxypyridine?
The canonical SMILES for 4-pentoxypyridine is CCCCCOc1ccncc1.
What is the InChIKey of 4-pentoxypyridine?
The InChIKey is CNTKNYFURMYCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5-8H,2-4,9H2,1H3.
What are the key properties of 4-pentoxypyridine?
4-pentoxypyridine has a molecular weight of 165.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxypyridine is sourced from PubChem (CID 23560340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).