3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine

C14H14BrNO2 — CID 105368231

IUPAC3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
SMILESCc1cnc(OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-11-9-13(15)14(16-10-11)18-8-7-17-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyAXUFELLFEYKPIS-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.61
Rot. Bonds5

About 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine

3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine (PubChem CID 105368231) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
PubChem CID105368231
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
SMILESCc1cnc(OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-11-9-13(15)14(16-10-11)18-8-7-17-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyAXUFELLFEYKPIS-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942
3-bromo-5-methyl-2-(3-methylbut-3-enoxy)pyridine
CID 105368392
3-bromo-5-methyl-2-(2-phenoxyethoxy)aniline
CID 54853009
1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
CID 83133442
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenol
CID 105367477
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
3-bromo-5-methyl-2-(thiophen-2-ylmethoxy)pyridine
CID 105368297
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine?
The IUPAC name of 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine (CID 105368231) is 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine?
The canonical SMILES for 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine is Cc1cnc(OCCOc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine?
The InChIKey is AXUFELLFEYKPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-11-9-13(15)14(16-10-11)18-8-7-17-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine?
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine is sourced from PubChem (CID 105368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).