2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane

C13H15F2N3O2 — CID 118275346

IUPAC2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC2)CC(F)(F)C3)nc1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)8-12(9-13)3-5-17(6-4-12)11-2-1-10(7-16-11)18(19)20/h1-2,7H,3-6,8-9H2
InChIKeyYTBUGWVCVZLYLT-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.01
Rot. Bonds2

About 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane

2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane (PubChem CID 118275346) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
PubChem CID118275346
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC2)CC(F)(F)C3)nc1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)8-12(9-13)3-5-17(6-4-12)11-2-1-10(7-16-11)18(19)20/h1-2,7H,3-6,8-9H2
InChIKeyYTBUGWVCVZLYLT-UHFFFAOYSA-N
XLogP3.01
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-nitro-2-pyridinyl)-3,9-diazaspiro[5.5]undecane
CID 71302762
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
1-(5-nitro-2-pyridinyl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 3165093
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
CID 133362520
2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
CID 82143786
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
2-amino-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61259070

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane (CID 118275346) is 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane is O=[N+]([O-])c1ccc(N2CCC3(CC2)CC(F)(F)C3)nc1.
What is the InChIKey of 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane?
The InChIKey is YTBUGWVCVZLYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-13(15)8-12(9-13)3-5-17(6-4-12)11-2-1-10(7-16-11)18(19)20/h1-2,7H,3-6,8-9H2.
What are the key properties of 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane?
2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane has a molecular weight of 283.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-(5-nitro-2-pyridinyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 118275346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).