2,6-dinitropyridin-3-ol

C5H3N3O5 — CID 2784727

IUPAC2,6-dinitropyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)[O-])n1
InChIInChI=1S/C5H3N3O5/c9-3-1-2-4(7(10)11)6-5(3)8(12)13/h1-2,9H
InChIKeyLFFZOHGXYHUOGO-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.60
Rot. Bonds2

About 2,6-dinitropyridin-3-ol

2,6-dinitropyridin-3-ol (PubChem CID 2784727) has the molecular formula C5H3N3O5 and a molecular weight of 185.10 g/mol. Its IUPAC name is 2,6-dinitropyridin-3-ol.

Molecular Properties

Compound Name2,6-dinitropyridin-3-ol
PubChem CID2784727
Molecular FormulaC5H3N3O5
Molecular Weight185.10 g/mol
Exact Mass185.01
IUPAC Name2,6-dinitropyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)c([N+](=O)[O-])n1
InChIInChI=1S/C5H3N3O5/c9-3-1-2-4(7(10)11)6-5(3)8(12)13/h1-2,9H
InChIKeyLFFZOHGXYHUOGO-UHFFFAOYSA-N
XLogP0.60
TPSA119.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.60
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dinitropyridin-3-ol?
The IUPAC name of 2,6-dinitropyridin-3-ol (CID 2784727) is 2,6-dinitropyridin-3-ol.
What is the SMILES notation for 2,6-dinitropyridin-3-ol?
The canonical SMILES for 2,6-dinitropyridin-3-ol is O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])n1.
What is the InChIKey of 2,6-dinitropyridin-3-ol?
The InChIKey is LFFZOHGXYHUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O5/c9-3-1-2-4(7(10)11)6-5(3)8(12)13/h1-2,9H.
What are the key properties of 2,6-dinitropyridin-3-ol?
2,6-dinitropyridin-3-ol has a molecular weight of 185.10 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinitropyridin-3-ol is sourced from PubChem (CID 2784727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).