5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine

C13H11Cl2NO — CID 81233947

IUPAC5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
SMILESCc1cc(Oc2ccccc2Cl)c(CCl)cn1
InChIInChI=1S/C13H11Cl2NO/c1-9-6-13(10(7-14)8-16-9)17-12-5-3-2-4-11(12)15/h2-6,8H,7H2,1H3
InChIKeyNZKOQMLZXADWDF-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.57
Rot. Bonds3

About 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine

5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine (PubChem CID 81233947) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
PubChem CID81233947
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine
SMILESCc1cc(Oc2ccccc2Cl)c(CCl)cn1
InChIInChI=1S/C13H11Cl2NO/c1-9-6-13(10(7-14)8-16-9)17-12-5-3-2-4-11(12)15/h2-6,8H,7H2,1H3
InChIKeyNZKOQMLZXADWDF-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.57
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

5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
4-(4-chloro-3-ethylphenoxy)-5-(chloromethyl)-2-methylpyridine
CID 81233958
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
5-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenoxy]pyridine
CID 81235542
[4-(4-chloronaphthalen-1-yl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81255368
[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237020
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
[4-[(2-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 81253013
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
4-(chloromethyl)-1-(2-chloro-4-methylphenoxy)isoquinoline
CID 106769583
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
5-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N,2-dimethylpyridin-4-amine
CID 81234824

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine (CID 81233947) is 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine is Cc1cc(Oc2ccccc2Cl)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine?
The InChIKey is NZKOQMLZXADWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-6-13(10(7-14)8-16-9)17-12-5-3-2-4-11(12)15/h2-6,8H,7H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine?
5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine has a molecular weight of 268.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(2-chlorophenoxy)-2-methylpyridine is sourced from PubChem (CID 81233947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).