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

C11H13BrClN — CID 53407847

IUPAC4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESBrc1ccc(C2=CCNCC2)cc1.Cl
InChIInChI=1S/C11H12BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
InChIKeyVEVVDEKVFXXXGT-UHFFFAOYSA-N
MW274.59 g/mol
LogP3.25
Rot. Bonds1

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

4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 53407847) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID53407847
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESBrc1ccc(C2=CCNCC2)cc1.Cl
InChIInChI=1S/C11H12BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
InChIKeyVEVVDEKVFXXXGT-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride 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;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 53407847) is 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is Brc1ccc(C2=CCNCC2)cc1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is VEVVDEKVFXXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H.
What are the key properties of 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 274.59 g/mol, XLogP of 3.25, 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;hydrochloride is sourced from PubChem (CID 53407847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).