5-nitro-4-piperidin-1-yl-1H-pyridin-2-one

C10H13N3O3 — CID 71772858

IUPAC5-nitro-4-piperidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCCCC2)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H13N3O3/c14-10-6-8(9(7-11-10)13(15)16)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,11,14)
InChIKeyDZFLEWMVPTYOAE-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.27
Rot. Bonds2

About 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one

5-nitro-4-piperidin-1-yl-1H-pyridin-2-one (PubChem CID 71772858) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-nitro-4-piperidin-1-yl-1H-pyridin-2-one
PubChem CID71772858
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-nitro-4-piperidin-1-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCCCC2)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H13N3O3/c14-10-6-8(9(7-11-10)13(15)16)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,11,14)
InChIKeyDZFLEWMVPTYOAE-UHFFFAOYSA-N
XLogP1.27
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one?
The IUPAC name of 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one (CID 71772858) is 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one?
The canonical SMILES for 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one is O=c1cc(N2CCCCC2)c([N+](=O)[O-])c[nH]1.
What is the InChIKey of 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one?
The InChIKey is DZFLEWMVPTYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10-6-8(9(7-11-10)13(15)16)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,11,14).
What are the key properties of 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one?
5-nitro-4-piperidin-1-yl-1H-pyridin-2-one has a molecular weight of 223.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-piperidin-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 71772858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).