2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine

C13H11Cl2NO — CID 79243153

IUPAC2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
SMILESCc1ccc(Cl)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C13H11Cl2NO/c1-9-5-6-10(14)7-12(9)17-8-11-3-2-4-13(15)16-11/h2-7H,8H2,1H3
InChIKeySOTQGNYGNGQMJY-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine

2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine (PubChem CID 79243153) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
PubChem CID79243153
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
SMILESCc1ccc(Cl)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C13H11Cl2NO/c1-9-5-6-10(14)7-12(9)17-8-11-3-2-4-13(15)16-11/h2-7H,8H2,1H3
InChIKeySOTQGNYGNGQMJY-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine 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

3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
CID 103059224
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
CID 79243325
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
1-[2-[(6-chloro-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484556
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine (CID 79243153) is 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine is Cc1ccc(Cl)cc1OCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine?
The InChIKey is SOTQGNYGNGQMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-9-5-6-10(14)7-12(9)17-8-11-3-2-4-13(15)16-11/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine?
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine has a molecular weight of 268.14 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 79243153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).