1-(5-nitro-2-pyridinyl)piperidin-4-ol

C10H13N3O3 — CID 2859768

IUPAC1-(5-nitro-2-pyridinyl)piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H13N3O3/c14-9-3-5-12(6-4-9)10-2-1-8(7-11-10)13(15)16/h1-2,7,9,14H,3-6H2
InChIKeyJHDAKLOFMCIERS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.95
Rot. Bonds2

About 1-(5-nitro-2-pyridinyl)piperidin-4-ol

1-(5-nitro-2-pyridinyl)piperidin-4-ol (PubChem CID 2859768) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)piperidin-4-ol
PubChem CID2859768
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(5-nitro-2-pyridinyl)piperidin-4-ol
SMILESO=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1
InChIInChI=1S/C10H13N3O3/c14-9-3-5-12(6-4-9)10-2-1-8(7-11-10)13(15)16/h1-2,7,9,14H,3-6H2
InChIKeyJHDAKLOFMCIERS-UHFFFAOYSA-N
XLogP0.95
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-(5-nitro-2-pyridinyl)piperidin-4-ol (CID 2859768) is 1-(5-nitro-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)piperidin-4-ol is O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)piperidin-4-ol?
The InChIKey is JHDAKLOFMCIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-3-5-12(6-4-9)10-2-1-8(7-11-10)13(15)16/h1-2,7,9,14H,3-6H2.
What are the key properties of 1-(5-nitro-2-pyridinyl)piperidin-4-ol?
1-(5-nitro-2-pyridinyl)piperidin-4-ol has a molecular weight of 223.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 2859768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).