3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine

C15H15Cl2NO — CID 112655944

IUPAC3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
SMILESCCOc1ccc(C(Cl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-2-19-13-5-3-11(4-6-13)14(16)9-12-7-8-18-10-15(12)17/h3-8,10,14H,2,9H2,1H3
InChIKeySSIFFGTYOHNJIW-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.66
Rot. Bonds5

About 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine

3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine (PubChem CID 112655944) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
PubChem CID112655944
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
SMILESCCOc1ccc(C(Cl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-2-19-13-5-3-11(4-6-13)14(16)9-12-7-8-18-10-15(12)17/h3-8,10,14H,2,9H2,1H3
InChIKeySSIFFGTYOHNJIW-UHFFFAOYSA-N
XLogP4.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]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-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
1-(3-chloro-4-pyridinyl)-5-ethoxy-N-methylpentan-2-amine
CID 105157358
4-[2-bromo-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-chloropyridine
CID 116629479
1-(3-chloro-4-pyridinyl)-3-ethoxypentan-2-ol
CID 116711097
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine (CID 112655944) is 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine is CCOc1ccc(C(Cl)Cc2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine?
The InChIKey is SSIFFGTYOHNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-19-13-5-3-11(4-6-13)14(16)9-12-7-8-18-10-15(12)17/h3-8,10,14H,2,9H2,1H3.
What are the key properties of 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine?
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine has a molecular weight of 296.20 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 112655944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).