2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid

C14H10N2O6 — CID 16776644

IUPAC2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyRLQDLAXIDYUFND-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.25
Rot. Bonds4

About 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid

2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid (PubChem CID 16776644) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid
PubChem CID16776644
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
InChIKeyRLQDLAXIDYUFND-UHFFFAOYSA-N
XLogP2.25
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid?
The IUPAC name of 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid (CID 16776644) is 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid.
What is the SMILES notation for 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid?
The canonical SMILES for 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid is O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid?
The InChIKey is RLQDLAXIDYUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20).
What are the key properties of 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid?
2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid has a molecular weight of 302.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxybenzoyl)amino]-5-nitrobenzoic acid is sourced from PubChem (CID 16776644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).