5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine

C8H13Br2N — CID 164656282

IUPAC5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine
SMILESBrCCCN1CCC=C(Br)C1
InChIInChI=1S/C8H13Br2N/c9-4-2-6-11-5-1-3-8(10)7-11/h3H,1-2,4-7H2
InChIKeyKFSPYTBPGYHJEB-UHFFFAOYSA-N
MW283.01 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine

5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine (PubChem CID 164656282) has the molecular formula C8H13Br2N and a molecular weight of 283.01 g/mol. Its IUPAC name is 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine
PubChem CID164656282
Molecular FormulaC8H13Br2N
Molecular Weight283.01 g/mol
Exact Mass280.94
IUPAC Name5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine
SMILESBrCCCN1CCC=C(Br)C1
InChIInChI=1S/C8H13Br2N/c9-4-2-6-11-5-1-3-8(10)7-11/h3H,1-2,4-7H2
InChIKeyKFSPYTBPGYHJEB-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.01
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine (CID 164656282) is 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine is BrCCCN1CCC=C(Br)C1.
What is the InChIKey of 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KFSPYTBPGYHJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br2N/c9-4-2-6-11-5-1-3-8(10)7-11/h3H,1-2,4-7H2.
What are the key properties of 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine?
5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 283.01 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 164656282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).