2,4-dinitronaphthalen-1-ol

C10H6N2O5 — CID 11802

IUPAC2,4-dinitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O
InChIInChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
InChIKeyFFRBMBIXVSCUFS-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.36
Rot. Bonds2

About 2,4-dinitronaphthalen-1-ol

2,4-dinitronaphthalen-1-ol (PubChem CID 11802) has the molecular formula C10H6N2O5 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2,4-dinitronaphthalen-1-ol.

Molecular Properties

Compound Name2,4-dinitronaphthalen-1-ol
PubChem CID11802
Molecular FormulaC10H6N2O5
Molecular Weight234.17 g/mol
Exact Mass234.03
IUPAC Name2,4-dinitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O
InChIInChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
InChIKeyFFRBMBIXVSCUFS-UHFFFAOYSA-N
XLogP2.36
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.36
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

Dinoseb
CID 6950
2-Methyl-4,6-dinitrophenol
CID 10800
Dinex
CID 8540
Flavianic acid
CID 10226
2-Nitroso-1-naphthol
CID 8592
1-Nitroso-2-naphthol
CID 8580
2-Isopropyl-4,6-dinitrophenol
CID 67056
1-Naphthol, 4-nitroso-
CID 69064
2,4,6-Trinitro-m-cresol
CID 11772
3,5-Dinitro(1,1'-biphenyl)-2-ol
CID 12900
Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
CID 9339
1-Nitro-2-naphthol
CID 11075

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitronaphthalen-1-ol?
The IUPAC name of 2,4-dinitronaphthalen-1-ol (CID 11802) is 2,4-dinitronaphthalen-1-ol.
What is the SMILES notation for 2,4-dinitronaphthalen-1-ol?
The canonical SMILES for 2,4-dinitronaphthalen-1-ol is O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1O.
What is the InChIKey of 2,4-dinitronaphthalen-1-ol?
The InChIKey is FFRBMBIXVSCUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H.
What are the key properties of 2,4-dinitronaphthalen-1-ol?
2,4-dinitronaphthalen-1-ol has a molecular weight of 234.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitronaphthalen-1-ol is sourced from PubChem (CID 11802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).