6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine

C11H12ClN — CID 127026744

IUPAC6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine
SMILESClc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12ClN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyNJDRDZZUJLQOGS-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.31
Rot. Bonds1

About 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine

6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 127026744) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID127026744
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine
SMILESClc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12ClN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyNJDRDZZUJLQOGS-UHFFFAOYSA-N
XLogP3.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine (CID 127026744) is 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine is Clc1cccc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is NJDRDZZUJLQOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2.
What are the key properties of 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine?
6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 193.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 127026744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).