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

C10H12BrN3 — CID 23636510

IUPAC(1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESBrc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C10H12BrN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m1/s1
InChIKeyIOXRDRBDZXKBTR-XCBNKYQSSA-N
MW254.13 g/mol
LogP1.25
Rot. Bonds1

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

(1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 23636510) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID23636510
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name(1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESBrc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C10H12BrN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m1/s1
InChIKeyIOXRDRBDZXKBTR-XCBNKYQSSA-N
XLogP1.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (CID 23636510) is (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is Brc1cncc(N2C[C@H]3CN[C@H]3C2)c1.
What is the InChIKey of (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is IOXRDRBDZXKBTR-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-8-1-9(4-12-3-8)14-5-7-2-13-10(7)6-14/h1,3-4,7,10,13H,2,5-6H2/t7-,10+/m1/s1.
What are the key properties of (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
(1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 254.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(5-bromo-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 23636510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).