3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine

C14H14BrNO2 — CID 67000104

IUPAC3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
SMILESCOc1ccc(COc2nccc(C)c2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyNJYABRQDGDTFBT-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds4

About 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine

3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine (PubChem CID 67000104) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
PubChem CID67000104
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
SMILESCOc1ccc(COc2nccc(C)c2Br)cc1
InChIInChI=1S/C14H14BrNO2/c1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyNJYABRQDGDTFBT-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

5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
3-bromo-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876733
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
CID 134183192
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 61177256
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
2-bromo-1-methoxy-3-[(4-methoxyphenyl)methoxy]benzene
CID 142468991
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
2-bromo-4-[(4-methoxyphenoxy)methyl]-1-methylbenzene
CID 117221925
3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine?
The IUPAC name of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine (CID 67000104) is 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine.
What is the SMILES notation for 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine?
The canonical SMILES for 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine is COc1ccc(COc2nccc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine?
The InChIKey is NJYABRQDGDTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-7-8-16-14(13(10)15)18-9-11-3-5-12(17-2)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine?
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine 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 3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine is sourced from PubChem (CID 67000104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).