2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine

C16H17BrClNO2 — CID 115962306

IUPAC2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(C)cc(Br)cc2CCl)c1
InChIInChI=1S/C16H17BrClNO2/c1-10-4-13(17)6-12(8-18)16(10)21-9-14-7-15(20-3)5-11(2)19-14/h4-7H,8-9H2,1-3H3
InChIKeyURUPRXOBYUSJJC-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.79
Rot. Bonds5

About 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine

2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine (PubChem CID 115962306) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
PubChem CID115962306
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(C)cc(Br)cc2CCl)c1
InChIInChI=1S/C16H17BrClNO2/c1-10-4-13(17)6-12(8-18)16(10)21-9-14-7-15(20-3)5-11(2)19-14/h4-7H,8-9H2,1-3H3
InChIKeyURUPRXOBYUSJJC-UHFFFAOYSA-N
XLogP4.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.79
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-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888898
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112621287
5-bromo-1-(chloromethyl)-3-methyl-2-pentoxybenzene
CID 112621234
5-bromo-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methylbenzene
CID 115962338
3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891772
[3,5-dichloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 82886627
5-bromo-1-(chloromethyl)-3-methyl-2-octoxybenzene
CID 112621183
5-bromo-1-(chloromethyl)-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzene
CID 112621295

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine (CID 115962306) is 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(COc2c(C)cc(Br)cc2CCl)c1.
What is the InChIKey of 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is URUPRXOBYUSJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-10-4-13(17)6-12(8-18)16(10)21-9-14-7-15(20-3)5-11(2)19-14/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine?
2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 370.67 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 115962306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).