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

C15H16ClNO2 — CID 61270107

IUPAC3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2CCl)cc1
InChIInChI=1S/C15H16ClNO2/c1-10-8-11(2)17-15(14(10)9-16)19-13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3
InChIKeyGHVMKPCPQMBSIM-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.24
Rot. Bonds4

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

3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine (PubChem CID 61270107) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
PubChem CID61270107
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2CCl)cc1
InChIInChI=1S/C15H16ClNO2/c1-10-8-11(2)17-15(14(10)9-16)19-13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3
InChIKeyGHVMKPCPQMBSIM-UHFFFAOYSA-N
XLogP4.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.24
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

3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335
3-(chloromethyl)-4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine
CID 63446366
3-(chloromethyl)-4,6-dimethyl-2-(2-methylphenoxy)pyridine
CID 61267878
3-(chloromethyl)-2-(2,5-dibromo-4-methoxyphenoxy)-4,6-dimethylpyridine
CID 79406784
2-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-4,6-dimethylpyridine
CID 63446420
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
1-[[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 79678939
[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 61175958
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine (CID 61270107) is 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine is COc1ccc(Oc2nc(C)cc(C)c2CCl)cc1.
What is the InChIKey of 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine?
The InChIKey is GHVMKPCPQMBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-8-11(2)17-15(14(10)9-16)19-13-6-4-12(18-3)5-7-13/h4-8H,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine has a molecular weight of 277.75 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine is sourced from PubChem (CID 61270107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).