2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine

C13H11Cl2N — CID 174541766

IUPAC2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine
SMILESClc1ccc(CCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N/c14-12-5-3-10(4-6-12)1-2-11-7-8-16-13(15)9-11/h3-9H,1-2H2
InChIKeyQCJSUPKWNSIMIB-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.17
Rot. Bonds3

About 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine

2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine (PubChem CID 174541766) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine
PubChem CID174541766
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC Name2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine
SMILESClc1ccc(CCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N/c14-12-5-3-10(4-6-12)1-2-11-7-8-16-13(15)9-11/h3-9H,1-2H2
InChIKeyQCJSUPKWNSIMIB-UHFFFAOYSA-N
XLogP4.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine?
The IUPAC name of 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine (CID 174541766) is 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine is Clc1ccc(CCc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine?
The InChIKey is QCJSUPKWNSIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-12-5-3-10(4-6-12)1-2-11-7-8-16-13(15)9-11/h3-9H,1-2H2.
What are the key properties of 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine?
2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine has a molecular weight of 252.14 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-chlorophenyl)ethyl]pyridine is sourced from PubChem (CID 174541766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).