3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine

C15H14Br2ClNO2 — CID 79406784

IUPAC3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
SMILESCOc1cc(Br)c(Oc2nc(C)cc(C)c2CCl)cc1Br
InChIInChI=1S/C15H14Br2ClNO2/c1-8-4-9(2)19-15(10(8)7-18)21-14-6-11(16)13(20-3)5-12(14)17/h4-6H,7H2,1-3H3
InChIKeyAXFMRNNUZUKQFL-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.76
Rot. Bonds4

About 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine

3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine (PubChem CID 79406784) has the molecular formula C15H14Br2ClNO2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
PubChem CID79406784
Molecular FormulaC15H14Br2ClNO2
Molecular Weight435.54 g/mol
Exact Mass432.91
IUPAC Name3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
SMILESCOc1cc(Br)c(Oc2nc(C)cc(C)c2CCl)cc1Br
InChIInChI=1S/C15H14Br2ClNO2/c1-8-4-9(2)19-15(10(8)7-18)21-14-6-11(16)13(20-3)5-12(14)17/h4-6H,7H2,1-3H3
InChIKeyAXFMRNNUZUKQFL-UHFFFAOYSA-N
XLogP5.76
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.76
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-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
3-(chloromethyl)-4,6-dimethyl-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66275486
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79678939
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054
2-(2,5-dibromo-4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 79407873
[2-(2,6-dimethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61255443

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine (CID 79406784) is 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine is COc1cc(Br)c(Oc2nc(C)cc(C)c2CCl)cc1Br.
What is the InChIKey of 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine?
The InChIKey is AXFMRNNUZUKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO2/c1-8-4-9(2)19-15(10(8)7-18)21-14-6-11(16)13(20-3)5-12(14)17/h4-6H,7H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine has a molecular weight of 435.54 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine is sourced from PubChem (CID 79406784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).