5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane

C13H17BrN2 — CID 133481074

IUPAC5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
SMILESCc1nc(N2CCCC3(CC3)C2)ccc1Br
InChIInChI=1S/C13H17BrN2/c1-10-11(14)3-4-12(15-10)16-8-2-5-13(9-16)6-7-13/h3-4H,2,5-9H2,1H3
InChIKeyBIKHAMDBRICYKF-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.53
Rot. Bonds1

About 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane

5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane (PubChem CID 133481074) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
PubChem CID133481074
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
SMILESCc1nc(N2CCCC3(CC3)C2)ccc1Br
InChIInChI=1S/C13H17BrN2/c1-10-11(14)3-4-12(15-10)16-8-2-5-13(9-16)6-7-13/h3-4H,2,5-9H2,1H3
InChIKeyBIKHAMDBRICYKF-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane?
The IUPAC name of 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane (CID 133481074) is 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane?
The canonical SMILES for 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane is Cc1nc(N2CCCC3(CC3)C2)ccc1Br.
What is the InChIKey of 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane?
The InChIKey is BIKHAMDBRICYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-10-11(14)3-4-12(15-10)16-8-2-5-13(9-16)6-7-13/h3-4H,2,5-9H2,1H3.
What are the key properties of 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane?
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane has a molecular weight of 281.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane is sourced from PubChem (CID 133481074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).