4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine

C11H12BrN — CID 18545468

IUPAC4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
SMILESBrc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
InChIKeyFDRGGAPHXGEHPI-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.83
Rot. Bonds1

About 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine

4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 18545468) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID18545468
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine
SMILESBrc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
InChIKeyFDRGGAPHXGEHPI-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-1,2,3,6-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 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine (CID 18545468) is 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine is Brc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FDRGGAPHXGEHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2.
What are the key properties of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine?
4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 238.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 18545468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).