4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine

C13H10Cl3NO — CID 113378896

IUPAC4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
SMILESCc1cc(CCl)cc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H10Cl3NO/c1-8-4-9(7-14)5-13(17-8)18-12-6-10(15)2-3-11(12)16/h2-6H,7H2,1H3
InChIKeyJACWBJFQMDQNTO-UHFFFAOYSA-N
MW302.59 g/mol
LogP5.23
Rot. Bonds3

About 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine

4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine (PubChem CID 113378896) has the molecular formula C13H10Cl3NO and a molecular weight of 302.59 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
PubChem CID113378896
Molecular FormulaC13H10Cl3NO
Molecular Weight302.59 g/mol
Exact Mass300.98
IUPAC Name4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
SMILESCc1cc(CCl)cc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H10Cl3NO/c1-8-4-9(7-14)5-13(17-8)18-12-6-10(15)2-3-11(12)16/h2-6H,7H2,1H3
InChIKeyJACWBJFQMDQNTO-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.59
LogP ≤ 55.23
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

2-(3-chloro-2-fluorophenoxy)-4-(chloromethyl)-6-methylpyridine
CID 116689772
[2-(2-bromo-4-chlorophenoxy)-6-methyl-4-pyridinyl]methanol
CID 113378798
[2-(2,5-dichlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257315
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
CID 66451005
1-[2-(3-chloro-2-fluorophenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 116690035
2-(4-butan-2-ylphenoxy)-4-(chloromethyl)-6-methylpyridine
CID 107667585
2-(2,5-dichlorophenoxy)-6-methylpyridin-3-amine
CID 81132243
N-[[2-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297790
2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
CID 114070718
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562020

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine (CID 113378896) is 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine is Cc1cc(CCl)cc(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine?
The InChIKey is JACWBJFQMDQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO/c1-8-4-9(7-14)5-13(17-8)18-12-6-10(15)2-3-11(12)16/h2-6H,7H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine?
4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine has a molecular weight of 302.59 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine is sourced from PubChem (CID 113378896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).