3,5-dinitrophenol

C6H4N2O5 — CID 11459

IUPAC3,5-dinitrophenol
SMILESO=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
InChIKeyUEMBNLWZFIWQFL-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.21
Rot. Bonds2

About 3,5-dinitrophenol

3,5-dinitrophenol (PubChem CID 11459) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 3,5-dinitrophenol.

Molecular Properties

Compound Name3,5-dinitrophenol
PubChem CID11459
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name3,5-dinitrophenol
SMILESO=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H
InChIKeyUEMBNLWZFIWQFL-UHFFFAOYSA-N
XLogP1.21
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
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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Related Compounds

4-Nitrophenol
CID 980
2,4-Dinitrophenol
CID 1493
Picric Acid
CID 6954
2-Amino-5-Nitrophenol
CID 4984721
2,5-Dinitrophenol
CID 9492
3-Nitrophenol
CID 11137
3,5-Dinitrocatechol
CID 3870203
2,6-Dinitrophenol
CID 11312
4-Nitrocatechol
CID 3505109
2,3-Dinitrophenol
CID 6191
3,4-Dinitrophenol
CID 11348
2-Amino-3-Nitrophenol
CID 4115495

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitrophenol?
The IUPAC name of 3,5-dinitrophenol (CID 11459) is 3,5-dinitrophenol.
What is the SMILES notation for 3,5-dinitrophenol?
The canonical SMILES for 3,5-dinitrophenol is O=[N+]([O-])c1cc(O)cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitrophenol?
The InChIKey is UEMBNLWZFIWQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H.
What are the key properties of 3,5-dinitrophenol?
3,5-dinitrophenol has a molecular weight of 184.11 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitrophenol is sourced from PubChem (CID 11459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).