3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine

C15H15Cl2N — CID 112655906

IUPAC3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
SMILESCc1ccc(C)c(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-11(2)13(7-10)14(16)8-12-5-6-18-9-15(12)17/h3-7,9,14H,8H2,1-2H3
InChIKeyREPKEXRGLLGAHY-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.87
Rot. Bonds3

About 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine

3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine (PubChem CID 112655906) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
PubChem CID112655906
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
SMILESCc1ccc(C)c(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-11(2)13(7-10)14(16)8-12-5-6-18-9-15(12)17/h3-7,9,14H,8H2,1-2H3
InChIKeyREPKEXRGLLGAHY-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
[1-(3-chloro-4-pyridinyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287759
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
3-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
CID 66034144
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine (CID 112655906) is 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine is Cc1ccc(C)c(C(Cl)Cc2ccncc2Cl)c1.
What is the InChIKey of 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine?
The InChIKey is REPKEXRGLLGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-4-11(2)13(7-10)14(16)8-12-5-6-18-9-15(12)17/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine?
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine has a molecular weight of 280.20 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine is sourced from PubChem (CID 112655906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).