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

C12H16N4O3 — CID 80845453

IUPAC8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc([N+](=O)[O-])c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H16N4O3/c13-11-4-3-10(16(18)19)12(14-11)15-7-1-2-8(15)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14)
InChIKeyFYINWNOFWYOMPS-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.06
Rot. Bonds2

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

8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80845453) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80845453
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc([N+](=O)[O-])c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H16N4O3/c13-11-4-3-10(16(18)19)12(14-11)15-7-1-2-8(15)6-9(17)5-7/h3-4,7-9,17H,1-2,5-6H2,(H2,13,14)
InChIKeyFYINWNOFWYOMPS-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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Related Compounds

8-(6-amino-5-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79816393
8-(3-iodo-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106494482
8-(3-amino-6-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115474177
1-[5-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-nitrophenyl]ethanone
CID 104613648
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
CID 80775290
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
8-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770462
8-(2-nitrophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763356
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
CID 80836642
6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
CID 80834838
6-(3,3-diethylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80855316

Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 80845453) is 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1ccc([N+](=O)[O-])c(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FYINWNOFWYOMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11-4-3-10(16(18)19)12(14-11)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-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-amino-3-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-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80845453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).