6-fluoro-2-iodo-3-nitrobenzoic acid

C7H3FINO4 — CID 131545530

IUPAC6-fluoro-2-iodo-3-nitrobenzoic acid
SMILESO=C(O)c1c(F)ccc([N+](=O)[O-])c1I
InChIInChI=1S/C7H3FINO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyVILIVUHPBZGVDL-UHFFFAOYSA-N
MW311.01 g/mol
LogP2.04
Rot. Bonds2

About 6-fluoro-2-iodo-3-nitrobenzoic acid

6-fluoro-2-iodo-3-nitrobenzoic acid (PubChem CID 131545530) has the molecular formula C7H3FINO4 and a molecular weight of 311.01 g/mol. Its IUPAC name is 6-fluoro-2-iodo-3-nitrobenzoic acid.

Molecular Properties

Compound Name6-fluoro-2-iodo-3-nitrobenzoic acid
PubChem CID131545530
Molecular FormulaC7H3FINO4
Molecular Weight311.01 g/mol
Exact Mass310.91
IUPAC Name6-fluoro-2-iodo-3-nitrobenzoic acid
SMILESO=C(O)c1c(F)ccc([N+](=O)[O-])c1I
InChIInChI=1S/C7H3FINO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyVILIVUHPBZGVDL-UHFFFAOYSA-N
XLogP2.04
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-fluoro-6-nitrobenzoic acid
CID 603758
3-amino-6-fluoro-2-iodobenzoic acid
CID 131563982
3-chloro-2-fluoro-6-nitrobenzoic acid
CID 130848879
2,6-difluoro-3-nitrobenzamide
CID 2780101
3-(2,6-difluoro-3-nitrophenyl)-3-oxopropanoic acid
CID 170887010
2-[(1-amino-2-chloroethylidene)amino]-6-fluoro-3-nitrobenzoic acid
CID 169369073
2-bromo-6-fluoro-3-nitrophenol
CID 119015559
2,6-dihydroxy-3-nitrobenzoic acid
CID 11171618
2-fluoro-6-(3-fluoro-4-nitrophenoxy)benzoic acid
CID 79515988
2-chloro-1-(6-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 131480552
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
2,6-difluoro-3-nitrobenzoyl isocyanate
CID 23038946

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-iodo-3-nitrobenzoic acid?
The IUPAC name of 6-fluoro-2-iodo-3-nitrobenzoic acid (CID 131545530) is 6-fluoro-2-iodo-3-nitrobenzoic acid.
What is the SMILES notation for 6-fluoro-2-iodo-3-nitrobenzoic acid?
The canonical SMILES for 6-fluoro-2-iodo-3-nitrobenzoic acid is O=C(O)c1c(F)ccc([N+](=O)[O-])c1I.
What is the InChIKey of 6-fluoro-2-iodo-3-nitrobenzoic acid?
The InChIKey is VILIVUHPBZGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FINO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12).
What are the key properties of 6-fluoro-2-iodo-3-nitrobenzoic acid?
6-fluoro-2-iodo-3-nitrobenzoic acid has a molecular weight of 311.01 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-iodo-3-nitrobenzoic acid is sourced from PubChem (CID 131545530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).