2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine

C12H8Cl3NO — CID 83269241

IUPAC2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3
InChIKeyOMZOHBASTLJOQV-UHFFFAOYSA-N
MW288.56 g/mol
LogP5.14
Rot. Bonds2

About 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine

2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine (PubChem CID 83269241) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
PubChem CID83269241
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3
InChIKeyOMZOHBASTLJOQV-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridalyl
CID 11488729
3-Chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
CID 2745744
1-(4-(3-chloro-4-(methylthio)phenoxy)pyridin-3-yl)-N,N-dimethylmethanamine
CID 9836263
3-(Phenoxymethyl)pyridine
CID 12474431
4-Phenoxypyridine
CID 249651
2-(4-Chlorophenoxy)-4-methoxynicotinonitrile
CID 1470949
2-(4-Chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile
CID 1488716
1-[4-(4-chloro-2-methoxyphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 25066443
1-[4-(4-chloro-2-methylphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449236
1-[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449238
1-[4-(4-chloro-2-methylphenoxy)-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449267
1-[4-(4-chloro-2-ethylphenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44449268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine (CID 83269241) is 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine is Cc1cnc(Cl)cc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
The InChIKey is OMZOHBASTLJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-7-6-16-12(15)5-11(7)17-10-3-8(13)2-9(14)4-10/h2-6H,1H3.
What are the key properties of 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine?
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine has a molecular weight of 288.56 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine is sourced from PubChem (CID 83269241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).