2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine

C15H15Cl2N — CID 66458987

IUPAC2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-5-6-12(8-13(10)16)14(17)9-15-11(2)4-3-7-18-15/h3-8,14H,9H2,1-2H3
InChIKeyJXBYPOMCHJQDBL-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.87
Rot. Bonds3

About 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine

2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine (PubChem CID 66458987) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
PubChem CID66458987
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-5-6-12(8-13(10)16)14(17)9-15-11(2)4-3-7-18-15/h3-8,14H,9H2,1-2H3
InChIKeyJXBYPOMCHJQDBL-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-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446677
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine (CID 66458987) is 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine is Cc1ccc(C(Cl)Cc2ncccc2C)cc1Cl.
What is the InChIKey of 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine?
The InChIKey is JXBYPOMCHJQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-5-6-12(8-13(10)16)14(17)9-15-11(2)4-3-7-18-15/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-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-4-methylphenyl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66458987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).