3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione

C10H9ClN4O4 — CID 103824174

IUPAC3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN4O4/c11-6-3-5(15(18)19)4-12-9(6)13-7-1-2-8(16)14-10(7)17/h3-4,7H,1-2H2,(H,12,13)(H,14,16,17)
InChIKeyQPXPLDHIDBBJCD-UHFFFAOYSA-N
MW284.66 g/mol
LogP0.86
Rot. Bonds3

About 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione

3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 103824174) has the molecular formula C10H9ClN4O4 and a molecular weight of 284.66 g/mol. Its IUPAC name is 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione
PubChem CID103824174
Molecular FormulaC10H9ClN4O4
Molecular Weight284.66 g/mol
Exact Mass284.03
IUPAC Name3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1
InChIInChI=1S/C10H9ClN4O4/c11-6-3-5(15(18)19)4-12-9(6)13-7-1-2-8(16)14-10(7)17/h3-4,7H,1-2H2,(H,12,13)(H,14,16,17)
InChIKeyQPXPLDHIDBBJCD-UHFFFAOYSA-N
XLogP0.86
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 50.86
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione (CID 103824174) is 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione is O=C1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)C(=O)N1.
What is the InChIKey of 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is QPXPLDHIDBBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O4/c11-6-3-5(15(18)19)4-12-9(6)13-7-1-2-8(16)14-10(7)17/h3-4,7H,1-2H2,(H,12,13)(H,14,16,17).
What are the key properties of 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione?
3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 284.66 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-nitro-2-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 103824174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).