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

C14H12Cl3N — CID 112655916

IUPAC3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
SMILESCc1cc(Cl)cc(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3
InChIKeyLZHJKNCKUYDRAP-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.22
Rot. Bonds3

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

3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine (PubChem CID 112655916) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
PubChem CID112655916
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
SMILESCc1cc(Cl)cc(C(Cl)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H12Cl3N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3
InChIKeyLZHJKNCKUYDRAP-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

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
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
1-chloro-3-[1-chloro-2-(2-methylphenyl)ethyl]-5-methylbenzene
CID 81324901
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
CID 79437272
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
CID 114824018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine (CID 112655916) is 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine is Cc1cc(Cl)cc(C(Cl)Cc2ccncc2Cl)c1.
What is the InChIKey of 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine?
The InChIKey is LZHJKNCKUYDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-9-4-11(6-12(15)5-9)13(16)7-10-2-3-18-8-14(10)17/h2-6,8,13H,7H2,1H3.
What are the key properties of 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine?
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine 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 3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine is sourced from PubChem (CID 112655916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).