1-(5-bromo-2-pyridinyl)azocane

C12H17BrN2 — CID 55137358

IUPAC1-(5-bromo-2-pyridinyl)azocane
SMILESBrc1ccc(N2CCCCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-6-7-12(14-10-11)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2
InChIKeyVDIQUNKWRMJJQK-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.61
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)azocane

1-(5-bromo-2-pyridinyl)azocane (PubChem CID 55137358) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)azocane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)azocane
PubChem CID55137358
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(5-bromo-2-pyridinyl)azocane
SMILESBrc1ccc(N2CCCCCCC2)nc1
InChIInChI=1S/C12H17BrN2/c13-11-6-7-12(14-10-11)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2
InChIKeyVDIQUNKWRMJJQK-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)azocane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)azocane (CID 55137358) is 1-(5-bromo-2-pyridinyl)azocane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)azocane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)azocane is Brc1ccc(N2CCCCCCC2)nc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)azocane?
The InChIKey is VDIQUNKWRMJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-6-7-12(14-10-11)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)azocane?
1-(5-bromo-2-pyridinyl)azocane has a molecular weight of 269.19 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)azocane is sourced from PubChem (CID 55137358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).