2-hydroxy-5-nitrobenzoic acid

C7H5NO5 — CID 7318

IUPAC2-hydroxy-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKeyPPDRLQLKHRZIJC-UHFFFAOYSA-N
MW183.12 g/mol
LogP1.00
Rot. Bonds2

About 2-hydroxy-5-nitrobenzoic acid

2-hydroxy-5-nitrobenzoic acid (PubChem CID 7318) has the molecular formula C7H5NO5 and a molecular weight of 183.12 g/mol. Its IUPAC name is 2-hydroxy-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-nitrobenzoic acid
PubChem CID7318
Molecular FormulaC7H5NO5
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Name2-hydroxy-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKeyPPDRLQLKHRZIJC-UHFFFAOYSA-N
XLogP1.00
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-nitrobenzoic acid?
The IUPAC name of 2-hydroxy-5-nitrobenzoic acid (CID 7318) is 2-hydroxy-5-nitrobenzoic acid.
What is the SMILES notation for 2-hydroxy-5-nitrobenzoic acid?
The canonical SMILES for 2-hydroxy-5-nitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-5-nitrobenzoic acid?
The InChIKey is PPDRLQLKHRZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11).
What are the key properties of 2-hydroxy-5-nitrobenzoic acid?
2-hydroxy-5-nitrobenzoic acid has a molecular weight of 183.12 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-nitrobenzoic acid is sourced from PubChem (CID 7318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).