2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine

C14H12Cl3N — CID 66461226

IUPAC2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H12Cl3N/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(15)6-13(12)16/h2-6,8,14H,7H2,1H3
InChIKeyLBXPMCBACQREKX-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.22
Rot. Bonds3

About 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine

2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine (PubChem CID 66461226) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
PubChem CID66461226
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C14H12Cl3N/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(15)6-13(12)16/h2-6,8,14H,7H2,1H3
InChIKeyLBXPMCBACQREKX-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.22
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-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362
2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
CID 82890690
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
2-[2-bromo-2-(2-chloro-4-fluorophenyl)ethyl]-5-methylpyridine
CID 66453362
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66455303

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine (CID 66461226) is 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Cl)c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine?
The InChIKey is LBXPMCBACQREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9-2-4-11(18-8-9)7-14(17)12-5-3-10(15)6-13(12)16/h2-6,8,14H,7H2,1H3.
What are the key properties of 2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine has a molecular weight of 300.62 g/mol, XLogP of 5.22, 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-(2,4-dichlorophenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66461226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).