3,5-difluoro-2-nitrobenzoic acid

C7H3F2NO4 — CID 2783365

IUPAC3,5-difluoro-2-nitrobenzoic acid
SMILESO=C(O)c1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12)
InChIKeyZBEWIPTYUHHZIS-UHFFFAOYSA-N
MW203.10 g/mol
LogP1.57
Rot. Bonds2

About 3,5-difluoro-2-nitrobenzoic acid

3,5-difluoro-2-nitrobenzoic acid (PubChem CID 2783365) has the molecular formula C7H3F2NO4 and a molecular weight of 203.10 g/mol. Its IUPAC name is 3,5-difluoro-2-nitrobenzoic acid.

Molecular Properties

Compound Name3,5-difluoro-2-nitrobenzoic acid
PubChem CID2783365
Molecular FormulaC7H3F2NO4
Molecular Weight203.10 g/mol
Exact Mass203.00
IUPAC Name3,5-difluoro-2-nitrobenzoic acid
SMILESO=C(O)c1cc(F)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12)
InChIKeyZBEWIPTYUHHZIS-UHFFFAOYSA-N
XLogP1.57
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,4-difluoro-3-nitrobenzoic acid
CID 69257842
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
3-(1-ethoxy-1-oxopropan-2-yl)-5-fluoro-2-nitrobenzoic acid
CID 70514785
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
3-amino-4-fluoro-2-nitrobenzoic acid
CID 122687122
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
3,5-difluoro-4-nitrophenol;3,5-difluorophenol;methane
CID 145166626
2-fluoro-4-nitro-5-sulfanylbenzoic acid
CID 104700205
1-(3,5-difluoro-2-nitrophenyl)pyrazole-3-carboxylic acid
CID 115509879
3,5-difluoro-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 121006074
2-(N-ethyl-3,5-difluoro-2-nitroanilino)acetic acid
CID 115507423

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-nitrobenzoic acid?
The IUPAC name of 3,5-difluoro-2-nitrobenzoic acid (CID 2783365) is 3,5-difluoro-2-nitrobenzoic acid.
What is the SMILES notation for 3,5-difluoro-2-nitrobenzoic acid?
The canonical SMILES for 3,5-difluoro-2-nitrobenzoic acid is O=C(O)c1cc(F)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 3,5-difluoro-2-nitrobenzoic acid?
The InChIKey is ZBEWIPTYUHHZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(10(13)14)5(9)2-3/h1-2H,(H,11,12).
What are the key properties of 3,5-difluoro-2-nitrobenzoic acid?
3,5-difluoro-2-nitrobenzoic acid has a molecular weight of 203.10 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-nitrobenzoic acid is sourced from PubChem (CID 2783365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).