2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine

C15H15Cl2N — CID 81325148

IUPAC2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2cc(C)cc(Cl)c2)nc1
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-14(18-9-10)8-15(17)12-5-11(2)6-13(16)7-12/h3-7,9,15H,8H2,1-2H3
InChIKeyCDPFUSMCEKEFAA-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.87
Rot. Bonds3

About 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine

2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine (PubChem CID 81325148) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
PubChem CID81325148
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2cc(C)cc(Cl)c2)nc1
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-14(18-9-10)8-15(17)12-5-11(2)6-13(16)7-12/h3-7,9,15H,8H2,1-2H3
InChIKeyCDPFUSMCEKEFAA-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'}

Analyze 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-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

2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
(5-methyl-2-pyridinyl)methanol;hydrochloride
CID 91620369
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine (CID 81325148) is 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Cl)c2cc(C)cc(Cl)c2)nc1.
What is the InChIKey of 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine?
The InChIKey is CDPFUSMCEKEFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-4-14(18-9-10)8-15(17)12-5-11(2)6-13(16)7-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine 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 2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 81325148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).