2-(4-butoxyphenyl)pyridine

C15H17NO — CID 11322128

IUPAC2-(4-butoxyphenyl)pyridine
SMILESCCCCOc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H17NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h4-11H,2-3,12H2,1H3
InChIKeyOVHOEGWGUASELU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-butoxyphenyl)pyridine

2-(4-butoxyphenyl)pyridine (PubChem CID 11322128) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)pyridine
PubChem CID11322128
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(4-butoxyphenyl)pyridine
SMILESCCCCOc1ccc(-c2ccccn2)cc1
InChIInChI=1S/C15H17NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h4-11H,2-3,12H2,1H3
InChIKeyOVHOEGWGUASELU-UHFFFAOYSA-N
XLogP3.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.93
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-butoxyphenyl)pyridine?
The IUPAC name of 2-(4-butoxyphenyl)pyridine (CID 11322128) is 2-(4-butoxyphenyl)pyridine.
What is the SMILES notation for 2-(4-butoxyphenyl)pyridine?
The canonical SMILES for 2-(4-butoxyphenyl)pyridine is CCCCOc1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)pyridine?
The InChIKey is OVHOEGWGUASELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-12-17-14-9-7-13(8-10-14)15-6-4-5-11-16-15/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)pyridine?
2-(4-butoxyphenyl)pyridine has a molecular weight of 227.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)pyridine is sourced from PubChem (CID 11322128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).