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

C12H13BrFN3O2 — CID 118408026

IUPAC8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3c(F)cncc3Br)CC2)O1
InChIInChI=1S/C12H13BrFN3O2/c13-8-5-15-6-9(14)10(8)17-3-1-12(2-4-17)7-16-11(18)19-12/h5-6H,1-4,7H2,(H,16,18)
InChIKeyMOPGYCOSSXQGJK-UHFFFAOYSA-N
MW330.16 g/mol
LogP2.06
Rot. Bonds1

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

8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 118408026) has the molecular formula C12H13BrFN3O2 and a molecular weight of 330.16 g/mol. Its IUPAC name is 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID118408026
Molecular FormulaC12H13BrFN3O2
Molecular Weight330.16 g/mol
Exact Mass329.02
IUPAC Name8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3c(F)cncc3Br)CC2)O1
InChIInChI=1S/C12H13BrFN3O2/c13-8-5-15-6-9(14)10(8)17-3-1-12(2-4-17)7-16-11(18)19-12/h5-6H,1-4,7H2,(H,16,18)
InChIKeyMOPGYCOSSXQGJK-UHFFFAOYSA-N
XLogP2.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-(3-Fluoropyridin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 132410037
3-(2-Fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66784229
tert-Butyl (3-bromo-5-fluoropyridin-4-yl)carbamate
CID 73553742
8-(3-Amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 90212229
8-[3-Iodo-5-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118395134
8-(3-Bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408019
8-(3-Fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123803359
8-[3-Ethyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 124024817
Ethane;8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 144930258
tert-butyl N-(5-bromo-2-fluoropyridin-4-yl)carbamate
CID 165907004
tert-butyl N-[(3S,5R)-1-(3-bromo-5-fluoro-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 169262276
[(3S,5R)-1-(3-bromo-5-fluoro-4-pyridinyl)-5-methylpiperidin-3-yl]carbamic acid
CID 170318961

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 118408026) is 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3c(F)cncc3Br)CC2)O1.
What is the InChIKey of 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MOPGYCOSSXQGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2/c13-8-5-15-6-9(14)10(8)17-3-1-12(2-4-17)7-16-11(18)19-12/h5-6H,1-4,7H2,(H,16,18).
What are the key properties of 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 330.16 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118408026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).