3-fluoro-2,6-dinitronaphthalene-1,5-diol

C10H5FN2O6 — CID 174974436

IUPAC3-fluoro-2,6-dinitronaphthalene-1,5-diol
SMILESO=[N+]([O-])c1ccc2c(O)c([N+](=O)[O-])c(F)cc2c1O
InChIInChI=1S/C10H5FN2O6/c11-6-3-5-4(10(15)8(6)13(18)19)1-2-7(9(5)14)12(16)17/h1-3,14-15H
InChIKeyPRUGIYBALYEIKS-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.21
Rot. Bonds2

About 3-fluoro-2,6-dinitronaphthalene-1,5-diol

3-fluoro-2,6-dinitronaphthalene-1,5-diol (PubChem CID 174974436) has the molecular formula C10H5FN2O6 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-fluoro-2,6-dinitronaphthalene-1,5-diol.

Molecular Properties

Compound Name3-fluoro-2,6-dinitronaphthalene-1,5-diol
PubChem CID174974436
Molecular FormulaC10H5FN2O6
Molecular Weight268.16 g/mol
Exact Mass268.01
IUPAC Name3-fluoro-2,6-dinitronaphthalene-1,5-diol
SMILESO=[N+]([O-])c1ccc2c(O)c([N+](=O)[O-])c(F)cc2c1O
InChIInChI=1S/C10H5FN2O6/c11-6-3-5-4(10(15)8(6)13(18)19)1-2-7(9(5)14)12(16)17/h1-3,14-15H
InChIKeyPRUGIYBALYEIKS-UHFFFAOYSA-N
XLogP2.21
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.21
H-Bond Donors ≤ 52
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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Related Compounds

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4-nitronaphthalene-1,2-diol
CID 54339442
1-hydroxy-5-nitroindol-4-ol
CID 15783725
2,4,6-trinitrobenzene-1,3-diol
CID 20534541
CID 158436799
CID 158436799
4-chloro-5-fluoro-3-nitrobenzene-1,2-diol
CID 88756964
2-bromo-6-fluoro-3-nitrophenol
CID 119015559
λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
CID 173370701
2-bromo-4-nitrobenzene-1,3-diol
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CID 159716735
CID 159716735

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dinitronaphthalene-1,5-diol?
The IUPAC name of 3-fluoro-2,6-dinitronaphthalene-1,5-diol (CID 174974436) is 3-fluoro-2,6-dinitronaphthalene-1,5-diol.
What is the SMILES notation for 3-fluoro-2,6-dinitronaphthalene-1,5-diol?
The canonical SMILES for 3-fluoro-2,6-dinitronaphthalene-1,5-diol is O=[N+]([O-])c1ccc2c(O)c([N+](=O)[O-])c(F)cc2c1O.
What is the InChIKey of 3-fluoro-2,6-dinitronaphthalene-1,5-diol?
The InChIKey is PRUGIYBALYEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O6/c11-6-3-5-4(10(15)8(6)13(18)19)1-2-7(9(5)14)12(16)17/h1-3,14-15H.
What are the key properties of 3-fluoro-2,6-dinitronaphthalene-1,5-diol?
3-fluoro-2,6-dinitronaphthalene-1,5-diol has a molecular weight of 268.16 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dinitronaphthalene-1,5-diol is sourced from PubChem (CID 174974436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).