8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H16N4O3 — CID 79816393

IUPAC8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2C3CCC2CC(O)C3)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-12-10(16(18)19)3-4-11(14-12)15-7-1-2-8(15)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14)
InChIKeyJPPFDKFDJBOJRX-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.06
Rot. Bonds2

About 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79816393) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79816393
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1nc(N2C3CCC2CC(O)C3)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-12-10(16(18)19)3-4-11(14-12)15-7-1-2-8(15)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14)
InChIKeyJPPFDKFDJBOJRX-UHFFFAOYSA-N
XLogP1.06
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 79816393) is 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1nc(N2C3CCC2CC(O)C3)ccc1[N+](=O)[O-].
What is the InChIKey of 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is JPPFDKFDJBOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12-10(16(18)19)3-4-11(14-12)15-7-1-2-8(15)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14).
What are the key properties of 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 264.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79816393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).