5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine

C13H12BrNOS — CID 70248876

IUPAC5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
SMILESCSc1ccc(COc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H12BrNOS/c1-17-12-5-2-10(3-6-12)9-16-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3
InChIKeyOCTLCZOBLBLUDC-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine

5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine (PubChem CID 70248876) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
PubChem CID70248876
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
SMILESCSc1ccc(COc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H12BrNOS/c1-17-12-5-2-10(3-6-12)9-16-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3
InChIKeyOCTLCZOBLBLUDC-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine?
The IUPAC name of 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine (CID 70248876) is 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine?
The canonical SMILES for 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine is CSc1ccc(COc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine?
The InChIKey is OCTLCZOBLBLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-17-12-5-2-10(3-6-12)9-16-13-7-4-11(14)8-15-13/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine?
5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine has a molecular weight of 310.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine is sourced from PubChem (CID 70248876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).