2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine

C15H15Cl2NO2 — CID 104666335

IUPAC2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
SMILESCOc1cc(Cl)cc(CCl)c1OCc1cccc(C)n1
InChIInChI=1S/C15H15Cl2NO2/c1-10-4-3-5-13(18-10)9-20-15-11(8-16)6-12(17)7-14(15)19-2/h3-7H,8-9H2,1-2H3
InChIKeyVHPIPBHSXWFQJQ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.37
Rot. Bonds5

About 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine

2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine (PubChem CID 104666335) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
PubChem CID104666335
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
SMILESCOc1cc(Cl)cc(CCl)c1OCc1cccc(C)n1
InChIInChI=1S/C15H15Cl2NO2/c1-10-4-3-5-13(18-10)9-20-15-11(8-16)6-12(17)7-14(15)19-2/h3-7H,8-9H2,1-2H3
InChIKeyVHPIPBHSXWFQJQ-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.37
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-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
[5-chloro-3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 104666095
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267114
2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 79260511
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
1-[3-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79263428
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
5-chloro-1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methoxybenzene
CID 104666222
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]benzonitrile
CID 104666290

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine (CID 104666335) is 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine is COc1cc(Cl)cc(CCl)c1OCc1cccc(C)n1.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
The InChIKey is VHPIPBHSXWFQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-4-3-5-13(18-10)9-20-15-11(8-16)6-12(17)7-14(15)19-2/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine?
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine has a molecular weight of 312.20 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine is sourced from PubChem (CID 104666335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).