6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane

C12H15N3O2 — CID 122520396

IUPAC6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC2)CC3)cn1
InChIInChI=1S/C12H15N3O2/c16-15(17)11-2-1-10(9-13-11)14-7-5-12(3-4-12)6-8-14/h1-2,9H,3-8H2
InChIKeyFOPHLCHMAZMSLR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.37
Rot. Bonds2

About 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane

6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane (PubChem CID 122520396) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
PubChem CID122520396
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC2)CC3)cn1
InChIInChI=1S/C12H15N3O2/c16-15(17)11-2-1-10(9-13-11)14-7-5-12(3-4-12)6-8-14/h1-2,9H,3-8H2
InChIKeyFOPHLCHMAZMSLR-UHFFFAOYSA-N
XLogP2.37
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.37
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

5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190
1-(6-nitro-3-pyridinyl)-4-(trifluoromethyl)piperidin-4-ol
CID 142494258
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
1-[[(1R)-2,2-dichlorocyclopropyl]methyl]-4-(6-nitro-3-pyridinyl)piperazine
CID 34554737
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
CID 82994580
2,2,2-trichloro-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
CID 28526793
1-(3-fluoropropyl)-4-(6-nitro-3-pyridinyl)piperazine
CID 121001014
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110

Frequently Asked Questions

What is the IUPAC name of 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane?
The IUPAC name of 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane (CID 122520396) is 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane is O=[N+]([O-])c1ccc(N2CCC3(CC2)CC3)cn1.
What is the InChIKey of 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane?
The InChIKey is FOPHLCHMAZMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-15(17)11-2-1-10(9-13-11)14-7-5-12(3-4-12)6-8-14/h1-2,9H,3-8H2.
What are the key properties of 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane?
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane has a molecular weight of 233.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 122520396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).