2,3,4,5-tetrahydropyridine;hydrobromide

C5H10BrN — CID 67855688

IUPAC2,3,4,5-tetrahydropyridine;hydrobromide
SMILESBr.C1=NCCCC1
InChIInChI=1S/C5H9N.BrH/c1-2-4-6-5-3-1;/h4H,1-3,5H2;1H
InChIKeyYIRDPIBXNVLSCT-UHFFFAOYSA-N
MW164.05 g/mol
LogP1.82
Rot. Bonds

About 2,3,4,5-tetrahydropyridine;hydrobromide

2,3,4,5-tetrahydropyridine;hydrobromide (PubChem CID 67855688) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine;hydrobromide.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine;hydrobromide
PubChem CID67855688
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name2,3,4,5-tetrahydropyridine;hydrobromide
SMILESBr.C1=NCCCC1
InChIInChI=1S/C5H9N.BrH/c1-2-4-6-5-3-1;/h4H,1-3,5H2;1H
InChIKeyYIRDPIBXNVLSCT-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine;hydrobromide?
The IUPAC name of 2,3,4,5-tetrahydropyridine;hydrobromide (CID 67855688) is 2,3,4,5-tetrahydropyridine;hydrobromide.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine;hydrobromide?
The canonical SMILES for 2,3,4,5-tetrahydropyridine;hydrobromide is Br.C1=NCCCC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine;hydrobromide?
The InChIKey is YIRDPIBXNVLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.BrH/c1-2-4-6-5-3-1;/h4H,1-3,5H2;1H.
What are the key properties of 2,3,4,5-tetrahydropyridine;hydrobromide?
2,3,4,5-tetrahydropyridine;hydrobromide has a molecular weight of 164.05 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine;hydrobromide is sourced from PubChem (CID 67855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).