2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid

C17H13NO4 — CID 166594842

IUPAC2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid
SMILESO=C(O)c1cc(/N=C2/c3ccccc3C=CC2O)ccc1O
InChIInChI=1S/C17H13NO4/c19-14-8-6-11(9-13(14)17(21)22)18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,15,19-20H,(H,21,22)/b18-16-
InChIKeyWZOFYHRXBXLOOC-VLGSPTGOSA-N
MW295.29 g/mol
LogP2.60
Rot. Bonds2

About 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid

2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid (PubChem CID 166594842) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid
PubChem CID166594842
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid
SMILESO=C(O)c1cc(/N=C2/c3ccccc3C=CC2O)ccc1O
InChIInChI=1S/C17H13NO4/c19-14-8-6-11(9-13(14)17(21)22)18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,15,19-20H,(H,21,22)/b18-16-
InChIKeyWZOFYHRXBXLOOC-VLGSPTGOSA-N
XLogP2.60
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
5-[[4-[2-[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 177409080
2-hydroxybenzoic acid;praseodymium
CID 87786006
CID 174940439
CID 174940439
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
CID 137163252
5-[(3-carboxy-4-hydroxyphenyl)diazenyl]pyridine-3-carboxylic acid
CID 154698524
sodium;hydride;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
CID 173234784
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenesulfonate
CID 3746741
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid (CID 166594842) is 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid is O=C(O)c1cc(/N=C2/c3ccccc3C=CC2O)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid?
The InChIKey is WZOFYHRXBXLOOC-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H13NO4/c19-14-8-6-11(9-13(14)17(21)22)18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,15,19-20H,(H,21,22)/b18-16-.
What are the key properties of 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid?
2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-hydroxy-2H-naphthalen-1-ylidene)amino]benzoic acid is sourced from PubChem (CID 166594842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).