2-(4-ethoxyphenyl)-5-pentylpyridine

C18H23NO — CID 3126242

IUPAC2-(4-ethoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OCC)cc2)nc1
InChIInChI=1S/C18H23NO/c1-3-5-6-7-15-8-13-18(19-14-15)16-9-11-17(12-10-16)20-4-2/h8-14H,3-7H2,1-2H3
InChIKeyVCLBNKVFUHIBLR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.88
Rot. Bonds7

About 2-(4-ethoxyphenyl)-5-pentylpyridine

2-(4-ethoxyphenyl)-5-pentylpyridine (PubChem CID 3126242) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-pentylpyridine
PubChem CID3126242
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(4-ethoxyphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OCC)cc2)nc1
InChIInChI=1S/C18H23NO/c1-3-5-6-7-15-8-13-18(19-14-15)16-9-11-17(12-10-16)20-4-2/h8-14H,3-7H2,1-2H3
InChIKeyVCLBNKVFUHIBLR-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-pentylpyridine?
The IUPAC name of 2-(4-ethoxyphenyl)-5-pentylpyridine (CID 3126242) is 2-(4-ethoxyphenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-pentylpyridine?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(OCC)cc2)nc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-pentylpyridine?
The InChIKey is VCLBNKVFUHIBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-5-6-7-15-8-13-18(19-14-15)16-9-11-17(12-10-16)20-4-2/h8-14H,3-7H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-pentylpyridine?
2-(4-ethoxyphenyl)-5-pentylpyridine has a molecular weight of 269.39 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-pentylpyridine is sourced from PubChem (CID 3126242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).