3-bromo-2-(4-butylphenoxy)pyridine

C15H16BrNO — CID 115493013

IUPAC3-bromo-2-(4-butylphenoxy)pyridine
SMILESCCCCc1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C15H16BrNO/c1-2-3-5-12-7-9-13(10-8-12)18-15-14(16)6-4-11-17-15/h4,6-11H,2-3,5H2,1H3
InChIKeyZILQLPQSJUWFKQ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.98
Rot. Bonds5

About 3-bromo-2-(4-butylphenoxy)pyridine

3-bromo-2-(4-butylphenoxy)pyridine (PubChem CID 115493013) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-bromo-2-(4-butylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-butylphenoxy)pyridine
PubChem CID115493013
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-bromo-2-(4-butylphenoxy)pyridine
SMILESCCCCc1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C15H16BrNO/c1-2-3-5-12-7-9-13(10-8-12)18-15-14(16)6-4-11-17-15/h4,6-11H,2-3,5H2,1H3
InChIKeyZILQLPQSJUWFKQ-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-butylphenoxy)pyridine?
The IUPAC name of 3-bromo-2-(4-butylphenoxy)pyridine (CID 115493013) is 3-bromo-2-(4-butylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(4-butylphenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(4-butylphenoxy)pyridine is CCCCc1ccc(Oc2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-butylphenoxy)pyridine?
The InChIKey is ZILQLPQSJUWFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-2-3-5-12-7-9-13(10-8-12)18-15-14(16)6-4-11-17-15/h4,6-11H,2-3,5H2,1H3.
What are the key properties of 3-bromo-2-(4-butylphenoxy)pyridine?
3-bromo-2-(4-butylphenoxy)pyridine has a molecular weight of 306.20 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-butylphenoxy)pyridine is sourced from PubChem (CID 115493013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).