2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine

C15H16BrNO2 — CID 146460657

IUPAC2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cccc(Br)n2)ccc1OC
InChIInChI=1S/C15H16BrNO2/c1-3-9-19-14-10-11(7-8-13(14)18-2)12-5-4-6-15(16)17-12/h4-8,10H,3,9H2,1-2H3
InChIKeyJRXZGZBSZCWWPO-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.31
Rot. Bonds5

About 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine

2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine (PubChem CID 146460657) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine
PubChem CID146460657
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine
SMILESCCCOc1cc(-c2cccc(Br)n2)ccc1OC
InChIInChI=1S/C15H16BrNO2/c1-3-9-19-14-10-11(7-8-13(14)18-2)12-5-4-6-15(16)17-12/h4-8,10H,3,9H2,1-2H3
InChIKeyJRXZGZBSZCWWPO-UHFFFAOYSA-N
XLogP4.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine?
The IUPAC name of 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine (CID 146460657) is 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine.
What is the SMILES notation for 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine?
The canonical SMILES for 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine is CCCOc1cc(-c2cccc(Br)n2)ccc1OC.
What is the InChIKey of 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine?
The InChIKey is JRXZGZBSZCWWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-3-9-19-14-10-11(7-8-13(14)18-2)12-5-4-6-15(16)17-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine?
2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine has a molecular weight of 322.20 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine is sourced from PubChem (CID 146460657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).