2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid

C14H11NO4 — CID 542795

IUPAC2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1cc(/N=C/c2ccccc2O)ccc1O
InChIInChI=1S/C14H11NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-8,16-17H,(H,18,19)/b15-8+
InChIKeyBICCUOGEUODANY-OVCLIPMQSA-N
MW257.25 g/mol
LogP2.55
Rot. Bonds3

About 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid

2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid (PubChem CID 542795) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid
PubChem CID542795
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1cc(/N=C/c2ccccc2O)ccc1O
InChIInChI=1S/C14H11NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-8,16-17H,(H,18,19)/b15-8+
InChIKeyBICCUOGEUODANY-OVCLIPMQSA-N
XLogP2.55
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid (CID 542795) is 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid is O=C(O)c1cc(/N=C/c2ccccc2O)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid?
The InChIKey is BICCUOGEUODANY-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H11NO4/c16-12-4-2-1-3-9(12)8-15-10-5-6-13(17)11(7-10)14(18)19/h1-8,16-17H,(H,18,19)/b15-8+.
What are the key properties of 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid?
2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid has a molecular weight of 257.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(2-hydroxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 542795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).