(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

C10H11Br2N3 — CID 23634911

IUPAC(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESBrc1cc(N2C[C@H]3CNC[C@H]32)cnc1Br
InChIInChI=1S/C10H11Br2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m1/s1
InChIKeyMUOPMDPHPADYMC-HZGVNTEJSA-N
MW333.03 g/mol
LogP2.01
Rot. Bonds1

About (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 23634911) has the molecular formula C10H11Br2N3 and a molecular weight of 333.03 g/mol. Its IUPAC name is (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID23634911
Molecular FormulaC10H11Br2N3
Molecular Weight333.03 g/mol
Exact Mass330.93
IUPAC Name(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESBrc1cc(N2C[C@H]3CNC[C@H]32)cnc1Br
InChIInChI=1S/C10H11Br2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m1/s1
InChIKeyMUOPMDPHPADYMC-HZGVNTEJSA-N
XLogP2.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.03
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (CID 23634911) is (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is Brc1cc(N2C[C@H]3CNC[C@H]32)cnc1Br.
What is the InChIKey of (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is MUOPMDPHPADYMC-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11Br2N3/c11-8-1-7(3-14-10(8)12)15-5-6-2-13-4-9(6)15/h1,3,6,9,13H,2,4-5H2/t6-,9-/m1/s1.
What are the key properties of (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
(1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 333.03 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(5,6-dibromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 23634911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).