5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid

C7H3BrFNO5 — CID 86097483

IUPAC5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1cc(Br)c(F)c([N+](=O)[O-])c1O
InChIInChI=1S/C7H3BrFNO5/c8-3-1-2(7(12)13)6(11)5(4(3)9)10(14)15/h1,11H,(H,12,13)
InChIKeyQAFMBEOJXJIPCH-UHFFFAOYSA-N
MW280.00 g/mol
LogP1.90
Rot. Bonds2

About 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid

5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid (PubChem CID 86097483) has the molecular formula C7H3BrFNO5 and a molecular weight of 280.00 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid
PubChem CID86097483
Molecular FormulaC7H3BrFNO5
Molecular Weight280.00 g/mol
Exact Mass278.92
IUPAC Name5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1cc(Br)c(F)c([N+](=O)[O-])c1O
InChIInChI=1S/C7H3BrFNO5/c8-3-1-2(7(12)13)6(11)5(4(3)9)10(14)15/h1,11H,(H,12,13)
InChIKeyQAFMBEOJXJIPCH-UHFFFAOYSA-N
XLogP1.90
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.00
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4,6-dibromo-3-hydroxy-2-nitrobenzoic acid
CID 10593300
4-bromo-3-hydroxy-5-methyl-2-nitrobenzoic acid
CID 90039244
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
5-bromo-2,4-difluoro-3-methylbenzoic acid
CID 59875256
2-fluoro-3,4-dinitrobenzoic acid
CID 22925593
5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine
CID 175487013
methyl 5-bromo-2-fluoro-4-methyl-3-nitrobenzoate
CID 134818579
2-chloro-4-fluoro-5-methyl-3-nitrobenzoic acid
CID 23284725
3-bromo-2,5-difluoro-6-nitroaniline
CID 142620682
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid?
The IUPAC name of 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid (CID 86097483) is 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid.
What is the SMILES notation for 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid?
The canonical SMILES for 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid is O=C(O)c1cc(Br)c(F)c([N+](=O)[O-])c1O.
What is the InChIKey of 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid?
The InChIKey is QAFMBEOJXJIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO5/c8-3-1-2(7(12)13)6(11)5(4(3)9)10(14)15/h1,11H,(H,12,13).
What are the key properties of 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid?
5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid has a molecular weight of 280.00 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid is sourced from PubChem (CID 86097483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).