3-fluoro-2,6-diiodo-4-nitrophenol

C6H2FI2NO3 — CID 118612807

IUPAC3-fluoro-2,6-diiodo-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(I)c1F
InChIInChI=1S/C6H2FI2NO3/c7-4-3(10(12)13)1-2(8)6(11)5(4)9/h1,11H
InChIKeyZXJKXQCJNPMFIE-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.65
Rot. Bonds1

About 3-fluoro-2,6-diiodo-4-nitrophenol

3-fluoro-2,6-diiodo-4-nitrophenol (PubChem CID 118612807) has the molecular formula C6H2FI2NO3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-fluoro-2,6-diiodo-4-nitrophenol.

Molecular Properties

Compound Name3-fluoro-2,6-diiodo-4-nitrophenol
PubChem CID118612807
Molecular FormulaC6H2FI2NO3
Molecular Weight408.89 g/mol
Exact Mass408.81
IUPAC Name3-fluoro-2,6-diiodo-4-nitrophenol
SMILESO=[N+]([O-])c1cc(I)c(O)c(I)c1F
InChIInChI=1S/C6H2FI2NO3/c7-4-3(10(12)13)1-2(8)6(11)5(4)9/h1,11H
InChIKeyZXJKXQCJNPMFIE-UHFFFAOYSA-N
XLogP2.65
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-diiodo-3-nitrophenol
CID 54168708
2,3,4-trifluoro-5-nitrophenol
CID 131582853
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
5-iodo-7-nitro-2,3-dihydro-1H-inden-4-ol
CID 23031109
6-fluoro-7-iodo-5-nitro-1-benzothiophene
CID 131219074
CID 154097613
CID 154097613
5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
CID 130557612
2-(4-hydroxy-3-iodo-5-nitrophenyl)acetate
CID 44558895
5-bromo-2-fluoro-3-nitrophenol
CID 131137935
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
2,4-difluoro-3,6-diiodophenol
CID 156656919
2-[(2-hydroxy-5-iodo-3-nitrophenyl)methyl]-6-iodo-4-nitrophenol
CID 163603073

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-diiodo-4-nitrophenol?
The IUPAC name of 3-fluoro-2,6-diiodo-4-nitrophenol (CID 118612807) is 3-fluoro-2,6-diiodo-4-nitrophenol.
What is the SMILES notation for 3-fluoro-2,6-diiodo-4-nitrophenol?
The canonical SMILES for 3-fluoro-2,6-diiodo-4-nitrophenol is O=[N+]([O-])c1cc(I)c(O)c(I)c1F.
What is the InChIKey of 3-fluoro-2,6-diiodo-4-nitrophenol?
The InChIKey is ZXJKXQCJNPMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2FI2NO3/c7-4-3(10(12)13)1-2(8)6(11)5(4)9/h1,11H.
What are the key properties of 3-fluoro-2,6-diiodo-4-nitrophenol?
3-fluoro-2,6-diiodo-4-nitrophenol has a molecular weight of 408.89 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-diiodo-4-nitrophenol is sourced from PubChem (CID 118612807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).