2,6-dihydroxy-3-nitrobenzoic acid

C7H5NO6 — CID 11171618

IUPAC2,6-dihydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1c(O)ccc([N+](=O)[O-])c1O
InChIInChI=1S/C7H5NO6/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2,9-10H,(H,11,12)
InChIKeyALIBUAQOBPFPFJ-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.70
Rot. Bonds2

About 2,6-dihydroxy-3-nitrobenzoic acid

2,6-dihydroxy-3-nitrobenzoic acid (PubChem CID 11171618) has the molecular formula C7H5NO6 and a molecular weight of 199.12 g/mol. Its IUPAC name is 2,6-dihydroxy-3-nitrobenzoic acid.

Molecular Properties

Compound Name2,6-dihydroxy-3-nitrobenzoic acid
PubChem CID11171618
Molecular FormulaC7H5NO6
Molecular Weight199.12 g/mol
Exact Mass199.01
IUPAC Name2,6-dihydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1c(O)ccc([N+](=O)[O-])c1O
InChIInChI=1S/C7H5NO6/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2,9-10H,(H,11,12)
InChIKeyALIBUAQOBPFPFJ-UHFFFAOYSA-N
XLogP0.70
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-cyano-2-hydroxy-3-nitrobenzoic acid
CID 131403400
2-amino-3-hydroxy-6-nitrobenzoic acid
CID 138958646
2-hydroxy-3-methyl-6-nitrobenzoic acid
CID 139330505
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
2,4-dinitrobenzene-1,3-diol;iron(2+)
CID 88924073
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552
2-chloro-3-nitro-6-sulfanylbenzoic acid
CID 142192680
sodium;2,6-dinitrobenzoic acid;sulfanide
CID 174749266
3-hydroxy-5-nitropyridine-4-carboxylic acid
CID 131167695

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-3-nitrobenzoic acid?
The IUPAC name of 2,6-dihydroxy-3-nitrobenzoic acid (CID 11171618) is 2,6-dihydroxy-3-nitrobenzoic acid.
What is the SMILES notation for 2,6-dihydroxy-3-nitrobenzoic acid?
The canonical SMILES for 2,6-dihydroxy-3-nitrobenzoic acid is O=C(O)c1c(O)ccc([N+](=O)[O-])c1O.
What is the InChIKey of 2,6-dihydroxy-3-nitrobenzoic acid?
The InChIKey is ALIBUAQOBPFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO6/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2,9-10H,(H,11,12).
What are the key properties of 2,6-dihydroxy-3-nitrobenzoic acid?
2,6-dihydroxy-3-nitrobenzoic acid has a molecular weight of 199.12 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-3-nitrobenzoic acid is sourced from PubChem (CID 11171618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).