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

C11H12BrN — CID 127024854

IUPAC6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine
SMILESBrc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyIAPFRWYGZQXILQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.42
Rot. Bonds1

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

6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 127024854) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID127024854
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine
SMILESBrc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C11H12BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
InChIKeyIAPFRWYGZQXILQ-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine (CID 127024854) is 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine is Brc1cccc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is IAPFRWYGZQXILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/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-bromophenyl)-2,3,4,5-tetrahydropyridine?
6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 238.13 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 127024854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).