2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine

C14H14BrNO2 — CID 63986285

IUPAC2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H14BrNO2/c1-10-8-11(15)6-7-13(10)18-9-12-4-3-5-14(16-12)17-2/h3-8H,9H2,1-2H3
InChIKeyFYXOUJMGYQSOCA-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds4

About 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine

2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine (PubChem CID 63986285) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
PubChem CID63986285
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H14BrNO2/c1-10-8-11(15)6-7-13(10)18-9-12-4-3-5-14(16-12)17-2/h3-8H,9H2,1-2H3
InChIKeyFYXOUJMGYQSOCA-UHFFFAOYSA-N
XLogP3.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 63986899
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
5-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63990956
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068
(1R)-1-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63992926
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-5-methylphenyl]ethanamine
CID 63985124

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine?
The IUPAC name of 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine (CID 63986285) is 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine?
The canonical SMILES for 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine is COc1cccc(COc2ccc(Br)cc2C)n1.
What is the InChIKey of 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine?
The InChIKey is FYXOUJMGYQSOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-8-11(15)6-7-13(10)18-9-12-4-3-5-14(16-12)17-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine?
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine has a molecular weight of 308.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine is sourced from PubChem (CID 63986285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).