4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

C7H3Br2NO5 — CID 10593300

IUPAC4,6-dibromo-3-hydroxy-2-nitrobenzoic acid
SMILESO=C(O)c1c(Br)cc(Br)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C7H3Br2NO5/c8-2-1-3(9)6(11)5(10(14)15)4(2)7(12)13/h1,11H,(H,12,13)
InChIKeyGVPABBXTZOHVHB-UHFFFAOYSA-N
MW340.91 g/mol
LogP2.52
Rot. Bonds2

About 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid

4,6-dibromo-3-hydroxy-2-nitrobenzoic acid (PubChem CID 10593300) has the molecular formula C7H3Br2NO5 and a molecular weight of 340.91 g/mol. Its IUPAC name is 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid.

Molecular Properties

Compound Name4,6-dibromo-3-hydroxy-2-nitrobenzoic acid
PubChem CID10593300
Molecular FormulaC7H3Br2NO5
Molecular Weight340.91 g/mol
Exact Mass338.84
IUPAC Name4,6-dibromo-3-hydroxy-2-nitrobenzoic acid
SMILESO=C(O)c1c(Br)cc(Br)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C7H3Br2NO5/c8-2-1-3(9)6(11)5(10(14)15)4(2)7(12)13/h1,11H,(H,12,13)
InChIKeyGVPABBXTZOHVHB-UHFFFAOYSA-N
XLogP2.52
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.91
LogP ≤ 52.52
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

5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid
CID 86097483
4-bromo-3-hydroxy-5-methyl-2-nitrobenzoic acid
CID 90039244
2-amino-6-bromo-4-fluoro-3-nitrophenol
CID 90409818
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
4-bromo-3-formamido-6-methyl-2-nitrobenzoic acid
CID 87396056
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
7-bromo-3-chloro-5-nitroisoquinolin-6-ol
CID 170968104
2-(3-bromo-5-methoxy-2-nitrophenyl)acetic acid
CID 171008028
1-(3-bromo-5-hydroxy-4-nitrophenyl)ethanone
CID 171007181
1-(3,6-dibromo-2-nitrophenyl)ethanone
CID 171005207
2,6-dihydroxy-3-nitrobenzoic acid
CID 11171618
(3,6-dihydroxy-2,4-dinitrophenyl)-phenylmethanone
CID 88507733

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid?
The IUPAC name of 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid (CID 10593300) is 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid.
What is the SMILES notation for 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid?
The canonical SMILES for 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid is O=C(O)c1c(Br)cc(Br)c(O)c1[N+](=O)[O-].
What is the InChIKey of 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid?
The InChIKey is GVPABBXTZOHVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2NO5/c8-2-1-3(9)6(11)5(10(14)15)4(2)7(12)13/h1,11H,(H,12,13).
What are the key properties of 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid?
4,6-dibromo-3-hydroxy-2-nitrobenzoic acid has a molecular weight of 340.91 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-3-hydroxy-2-nitrobenzoic acid is sourced from PubChem (CID 10593300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).