3-(4-butoxyphenyl)pyridine

C15H17NO — CID 11817019

IUPAC3-(4-butoxyphenyl)pyridine
SMILESCCCCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H17NO/c1-2-3-11-17-15-8-6-13(7-9-15)14-5-4-10-16-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyATLLIISCQQKAQI-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.93
Rot. Bonds5

About 3-(4-butoxyphenyl)pyridine

3-(4-butoxyphenyl)pyridine (PubChem CID 11817019) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(4-butoxyphenyl)pyridine
PubChem CID11817019
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(4-butoxyphenyl)pyridine
SMILESCCCCOc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H17NO/c1-2-3-11-17-15-8-6-13(7-9-15)14-5-4-10-16-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyATLLIISCQQKAQI-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 3-(4-butoxyphenyl)pyridine?
The IUPAC name of 3-(4-butoxyphenyl)pyridine (CID 11817019) is 3-(4-butoxyphenyl)pyridine.
What is the SMILES notation for 3-(4-butoxyphenyl)pyridine?
The canonical SMILES for 3-(4-butoxyphenyl)pyridine is CCCCOc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)pyridine?
The InChIKey is ATLLIISCQQKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-3-11-17-15-8-6-13(7-9-15)14-5-4-10-16-12-14/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 3-(4-butoxyphenyl)pyridine?
3-(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 3-(4-butoxyphenyl)pyridine is sourced from PubChem (CID 11817019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).