2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine

C14H12Cl3NO — CID 79169539

IUPAC2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2c(Cl)cccc2Cl)c(CCl)n1
InChIInChI=1S/C14H12Cl3NO/c1-9-5-6-14(13(7-15)18-9)19-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3
InChIKeyRRHGCTRYYAVSOS-UHFFFAOYSA-N
MW316.62 g/mol
LogP5.01
Rot. Bonds4

About 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine

2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine (PubChem CID 79169539) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
PubChem CID79169539
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
SMILESCc1ccc(OCc2c(Cl)cccc2Cl)c(CCl)n1
InChIInChI=1S/C14H12Cl3NO/c1-9-5-6-14(13(7-15)18-9)19-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3
InChIKeyRRHGCTRYYAVSOS-UHFFFAOYSA-N
XLogP5.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.62
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-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

2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79163859
2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79168623
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine (CID 79169539) is 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine is Cc1ccc(OCc2c(Cl)cccc2Cl)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine?
The InChIKey is RRHGCTRYYAVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-9-5-6-14(13(7-15)18-9)19-8-10-11(16)3-2-4-12(10)17/h2-6H,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine?
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine has a molecular weight of 316.62 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79169539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).