1-(3-nitro-2-pyridinyl)piperidin-4-one

C10H11N3O3 — CID 3510540

IUPAC1-(3-nitro-2-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H11N3O3/c14-8-3-6-12(7-4-8)10-9(13(15)16)2-1-5-11-10/h1-2,5H,3-4,6-7H2
InChIKeyBOBGISYVOBYUKA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.16
Rot. Bonds2

About 1-(3-nitro-2-pyridinyl)piperidin-4-one

1-(3-nitro-2-pyridinyl)piperidin-4-one (PubChem CID 3510540) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)piperidin-4-one
PubChem CID3510540
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(3-nitro-2-pyridinyl)piperidin-4-one
SMILESO=C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C10H11N3O3/c14-8-3-6-12(7-4-8)10-9(13(15)16)2-1-5-11-10/h1-2,5H,3-4,6-7H2
InChIKeyBOBGISYVOBYUKA-UHFFFAOYSA-N
XLogP1.16
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
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-(3-nitro-2-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(3-nitro-2-pyridinyl)piperidin-4-one (CID 3510540) is 1-(3-nitro-2-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)piperidin-4-one is O=C1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)piperidin-4-one?
The InChIKey is BOBGISYVOBYUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-8-3-6-12(7-4-8)10-9(13(15)16)2-1-5-11-10/h1-2,5H,3-4,6-7H2.
What are the key properties of 1-(3-nitro-2-pyridinyl)piperidin-4-one?
1-(3-nitro-2-pyridinyl)piperidin-4-one has a molecular weight of 221.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)piperidin-4-one is sourced from PubChem (CID 3510540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).