3,5-dinitro-3H-pyridin-2-one

C5H3N3O5 — CID 78169901

IUPAC3,5-dinitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1[N+](=O)[O-]
InChIInChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2,4H
InChIKeyYFVOANKQNVQPQQ-UHFFFAOYSA-N
MW185.10 g/mol
LogP-0.60
Rot. Bonds2

About 3,5-dinitro-3H-pyridin-2-one

3,5-dinitro-3H-pyridin-2-one (PubChem CID 78169901) has the molecular formula C5H3N3O5 and a molecular weight of 185.10 g/mol. Its IUPAC name is 3,5-dinitro-3H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dinitro-3H-pyridin-2-one
PubChem CID78169901
Molecular FormulaC5H3N3O5
Molecular Weight185.10 g/mol
Exact Mass185.01
IUPAC Name3,5-dinitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1[N+](=O)[O-]
InChIInChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2,4H
InChIKeyYFVOANKQNVQPQQ-UHFFFAOYSA-N
XLogP-0.60
TPSA115.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-0.60
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 3,5-dinitro-3H-pyridin-2-one?
The IUPAC name of 3,5-dinitro-3H-pyridin-2-one (CID 78169901) is 3,5-dinitro-3H-pyridin-2-one.
What is the SMILES notation for 3,5-dinitro-3H-pyridin-2-one?
The canonical SMILES for 3,5-dinitro-3H-pyridin-2-one is O=C1N=CC([N+](=O)[O-])=CC1[N+](=O)[O-].
What is the InChIKey of 3,5-dinitro-3H-pyridin-2-one?
The InChIKey is YFVOANKQNVQPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2,4H.
What are the key properties of 3,5-dinitro-3H-pyridin-2-one?
3,5-dinitro-3H-pyridin-2-one has a molecular weight of 185.10 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-3H-pyridin-2-one is sourced from PubChem (CID 78169901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).