2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine

C15H16BrNO2 — CID 112614202

IUPAC2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2c(C)cccc2CBr)n1
InChIInChI=1S/C15H16BrNO2/c1-11-5-3-6-12(9-16)15(11)19-10-13-7-4-8-14(17-13)18-2/h3-8H,9-10H2,1-2H3
InChIKeyNCQLWXGTACZUJN-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.87
Rot. Bonds5

About 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine

2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine (PubChem CID 112614202) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
PubChem CID112614202
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2c(C)cccc2CBr)n1
InChIInChI=1S/C15H16BrNO2/c1-11-5-3-6-12(9-16)15(11)19-10-13-7-4-8-14(17-13)18-2/h3-8H,9-10H2,1-2H3
InChIKeyNCQLWXGTACZUJN-UHFFFAOYSA-N
XLogP3.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
2-[2-[(6-methoxy-2-pyridinyl)methoxy]-3-methylphenyl]ethanamine
CID 115957600
2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine
CID 107745738
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
1-(bromomethyl)-2-[(3,4-dimethoxyphenyl)methoxy]-3-methylbenzene
CID 115956901
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine?
The IUPAC name of 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine (CID 112614202) is 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine?
The canonical SMILES for 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine is COc1cccc(COc2c(C)cccc2CBr)n1.
What is the InChIKey of 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine?
The InChIKey is NCQLWXGTACZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11-5-3-6-12(9-16)15(11)19-10-13-7-4-8-14(17-13)18-2/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine?
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine has a molecular weight of 322.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine is sourced from PubChem (CID 112614202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).