3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine

C13H12BrNO2 — CID 22607345

IUPAC3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2cncc(Br)c2)cc1
InChIInChI=1S/C13H12BrNO2/c1-16-12-4-2-10(3-5-12)9-17-13-6-11(14)7-15-8-13/h2-8H,9H2,1H3
InChIKeyMWACELUBXQATRJ-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.43
Rot. Bonds4

About 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine

3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine (PubChem CID 22607345) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine
PubChem CID22607345
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine
SMILESCOc1ccc(COc2cncc(Br)c2)cc1
InChIInChI=1S/C13H12BrNO2/c1-16-12-4-2-10(3-5-12)9-17-13-6-11(14)7-15-8-13/h2-8H,9H2,1H3
InChIKeyMWACELUBXQATRJ-UHFFFAOYSA-N
XLogP3.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine?
The IUPAC name of 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine (CID 22607345) is 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine?
The canonical SMILES for 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine is COc1ccc(COc2cncc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine?
The InChIKey is MWACELUBXQATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-16-12-4-2-10(3-5-12)9-17-13-6-11(14)7-15-8-13/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine?
3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine has a molecular weight of 294.15 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-methoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 22607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).