8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

C13H15BrFN3O — CID 118408019

IUPAC8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(F)cncc1Br)CC2
InChIInChI=1S/C13H15BrFN3O/c14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19/h7-8H,1-6H2,(H,17,19)
InChIKeyKUGYDNGLJDMYCU-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.09
Rot. Bonds1

About 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118408019) has the molecular formula C13H15BrFN3O and a molecular weight of 328.19 g/mol. Its IUPAC name is 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118408019
Molecular FormulaC13H15BrFN3O
Molecular Weight328.19 g/mol
Exact Mass327.04
IUPAC Name8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(F)cncc1Br)CC2
InChIInChI=1S/C13H15BrFN3O/c14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19/h7-8H,1-6H2,(H,17,19)
InChIKeyKUGYDNGLJDMYCU-UHFFFAOYSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (CID 118408019) is 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(F)cncc1Br)CC2.
What is the InChIKey of 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KUGYDNGLJDMYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O/c14-9-7-16-8-10(15)11(9)18-5-2-13(3-6-18)1-4-17-12(13)19/h7-8H,1-6H2,(H,17,19).
What are the key properties of 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 328.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118408019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).