2,4,6-trinitropyridin-3-ol

C5H2N4O7 — CID 2784729

IUPAC2,4,6-trinitropyridin-3-ol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])n1
InChIInChI=1S/C5H2N4O7/c10-4-2(7(11)12)1-3(8(13)14)6-5(4)9(15)16/h1,10H
InChIKeyQFGZBGIZUAPDSC-UHFFFAOYSA-N
MW230.09 g/mol
LogP0.51
Rot. Bonds3

About 2,4,6-trinitropyridin-3-ol

2,4,6-trinitropyridin-3-ol (PubChem CID 2784729) has the molecular formula C5H2N4O7 and a molecular weight of 230.09 g/mol. Its IUPAC name is 2,4,6-trinitropyridin-3-ol.

Molecular Properties

Compound Name2,4,6-trinitropyridin-3-ol
PubChem CID2784729
Molecular FormulaC5H2N4O7
Molecular Weight230.09 g/mol
Exact Mass229.99
IUPAC Name2,4,6-trinitropyridin-3-ol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])n1
InChIInChI=1S/C5H2N4O7/c10-4-2(7(11)12)1-3(8(13)14)6-5(4)9(15)16/h1,10H
InChIKeyQFGZBGIZUAPDSC-UHFFFAOYSA-N
XLogP0.51
TPSA162.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2,4,6-trinitropyridin-3-ol?
The IUPAC name of 2,4,6-trinitropyridin-3-ol (CID 2784729) is 2,4,6-trinitropyridin-3-ol.
What is the SMILES notation for 2,4,6-trinitropyridin-3-ol?
The canonical SMILES for 2,4,6-trinitropyridin-3-ol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])n1.
What is the InChIKey of 2,4,6-trinitropyridin-3-ol?
The InChIKey is QFGZBGIZUAPDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2N4O7/c10-4-2(7(11)12)1-3(8(13)14)6-5(4)9(15)16/h1,10H.
What are the key properties of 2,4,6-trinitropyridin-3-ol?
2,4,6-trinitropyridin-3-ol has a molecular weight of 230.09 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trinitropyridin-3-ol is sourced from PubChem (CID 2784729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).