5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine

C14H14BrNO2 — CID 61373244

IUPAC5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
SMILESCOCCc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrNO2/c1-17-9-8-11-2-5-13(6-3-11)18-14-7-4-12(15)10-16-14/h2-7,10H,8-9H2,1H3
InChIKeyVZXHQVZSFREPBB-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.83
Rot. Bonds5

About 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine

5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine (PubChem CID 61373244) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
PubChem CID61373244
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
SMILESCOCCc1ccc(Oc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrNO2/c1-17-9-8-11-2-5-13(6-3-11)18-14-7-4-12(15)10-16-14/h2-7,10H,8-9H2,1H3
InChIKeyVZXHQVZSFREPBB-UHFFFAOYSA-N
XLogP3.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.83
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-(2-methoxyethyl)phenoxy]pyridine?
The IUPAC name of 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine (CID 61373244) is 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine?
The canonical SMILES for 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine is COCCc1ccc(Oc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine?
The InChIKey is VZXHQVZSFREPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-9-8-11-2-5-13(6-3-11)18-14-7-4-12(15)10-16-14/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine?
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine is sourced from PubChem (CID 61373244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).