2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine

C14H14BrNO3 — CID 62047657

IUPAC2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
SMILESCOc1ccc(OCCOc2cccnc2Br)cc1
InChIInChI=1S/C14H14BrNO3/c1-17-11-4-6-12(7-5-11)18-9-10-19-13-3-2-8-16-14(13)15/h2-8H,9-10H2,1H3
InChIKeyMOZYXUYBQOXMOS-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.31
Rot. Bonds6

About 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine

2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine (PubChem CID 62047657) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
PubChem CID62047657
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
SMILESCOc1ccc(OCCOc2cccnc2Br)cc1
InChIInChI=1S/C14H14BrNO3/c1-17-11-4-6-12(7-5-11)18-9-10-19-13-3-2-8-16-14(13)15/h2-8H,9-10H2,1H3
InChIKeyMOZYXUYBQOXMOS-UHFFFAOYSA-N
XLogP3.31
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
CID 102975066
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 114320878
2-bromo-3-(3-methylsulfonylpropoxy)pyridine
CID 63239076
[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanol
CID 60773075
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide
CID 65101915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine?
The IUPAC name of 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine (CID 62047657) is 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine.
What is the SMILES notation for 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine?
The canonical SMILES for 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine is COc1ccc(OCCOc2cccnc2Br)cc1.
What is the InChIKey of 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine?
The InChIKey is MOZYXUYBQOXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-17-11-4-6-12(7-5-11)18-9-10-19-13-3-2-8-16-14(13)15/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine?
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine has a molecular weight of 324.17 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine is sourced from PubChem (CID 62047657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).