9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane

C13H14BrF3N2O2 — CID 106795828

IUPAC9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cc(Br)cnc1N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H14BrF3N2O2/c14-9-6-10(13(15,16)17)11(18-7-9)19-3-1-2-12(8-19)20-4-5-21-12/h6-7H,1-5,8H2
InChIKeyXPYDWMUGSOEJSG-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.21
Rot. Bonds1

About 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 106795828) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID106795828
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC Name9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC(F)(F)c1cc(Br)cnc1N1CCCC2(C1)OCCO2
InChIInChI=1S/C13H14BrF3N2O2/c14-9-6-10(13(15,16)17)11(18-7-9)19-3-1-2-12(8-19)20-4-5-21-12/h6-7H,1-5,8H2
InChIKeyXPYDWMUGSOEJSG-UHFFFAOYSA-N
XLogP3.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-hydroxymorpholine-2-carboximidamide
CID 106795885
2-(azetidin-1-yl)-5-methyl-3-(trifluoromethyl)pyridine
CID 130243856
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperidine-4-carboximidamide
CID 107162239
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
9-(5-bromoisoquinolin-1-yl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 103888995
6-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-nitropyridine-3-carbonitrile
CID 103470124
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506837

Frequently Asked Questions

What is the IUPAC name of 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 106795828) is 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane is FC(F)(F)c1cc(Br)cnc1N1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is XPYDWMUGSOEJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-9-6-10(13(15,16)17)11(18-7-9)19-3-1-2-12(8-19)20-4-5-21-12/h6-7H,1-5,8H2.
What are the key properties of 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 367.17 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 106795828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).