2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine

C15H15BrClNO — CID 63446420

IUPAC2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
SMILESCc1ccc(Oc2nc(C)cc(C)c2CCl)c(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-9-4-5-14(13(16)6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,8H2,1-3H3
InChIKeyZZRAHUZPJYZJPC-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.30
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine

2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine (PubChem CID 63446420) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
PubChem CID63446420
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
SMILESCc1ccc(Oc2nc(C)cc(C)c2CCl)c(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-9-4-5-14(13(16)6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,8H2,1-3H3
InChIKeyZZRAHUZPJYZJPC-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
CID 79406784
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296558
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
6-(2-bromo-4-methylphenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631978
[2-(2-fluoro-5-methylphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 64853800
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine (CID 63446420) is 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine is Cc1ccc(Oc2nc(C)cc(C)c2CCl)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine?
The InChIKey is ZZRAHUZPJYZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-4-5-14(13(16)6-9)19-15-12(8-17)10(2)7-11(3)18-15/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine?
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine has a molecular weight of 340.65 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine is sourced from PubChem (CID 63446420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).