5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid

C11H7NO6 — CID 168526418

IUPAC5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1cc(-c2ccco2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H7NO6/c13-10-7(11(14)15)4-6(5-8(10)12(16)17)9-2-1-3-18-9/h1-5,13H,(H,14,15)
InChIKeyXAAWIEHKIFXMJL-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.26
Rot. Bonds3

About 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid

5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid (PubChem CID 168526418) has the molecular formula C11H7NO6 and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
PubChem CID168526418
Molecular FormulaC11H7NO6
Molecular Weight249.18 g/mol
Exact Mass249.03
IUPAC Name5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid
SMILESO=C(O)c1cc(-c2ccco2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C11H7NO6/c13-10-7(11(14)15)4-6(5-8(10)12(16)17)9-2-1-3-18-9/h1-5,13H,(H,14,15)
InChIKeyXAAWIEHKIFXMJL-UHFFFAOYSA-N
XLogP2.26
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

4-(furan-2-yl)-2-nitrophenol
CID 53221595
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
CID 138673812
2-hydroxy-3-nitro-5-propan-2-ylbenzoic acid
CID 4572204
4-(furan-2-yl)-3-nitrophenol
CID 168528827
[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 25064957
3-ethyl-2,4-dihydroxy-5-nitrobenzoic acid
CID 139932551
5-formamido-2-hydroxy-3-nitrobenzoic acid
CID 168653535
5-ethoxy-2-hydroxy-3-nitrobenzoic acid
CID 91673204
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787
benzene;2-nitrobenzoic acid
CID 19891435

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid?
The IUPAC name of 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid (CID 168526418) is 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid.
What is the SMILES notation for 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid?
The canonical SMILES for 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid is O=C(O)c1cc(-c2ccco2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid?
The InChIKey is XAAWIEHKIFXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO6/c13-10-7(11(14)15)4-6(5-8(10)12(16)17)9-2-1-3-18-9/h1-5,13H,(H,14,15).
What are the key properties of 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid?
5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid has a molecular weight of 249.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-hydroxy-3-nitrobenzoic acid is sourced from PubChem (CID 168526418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).