5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid

C16H14BrNO4 — CID 50885110

IUPAC5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESCCOc1ccc(Br)cc1/C=N/c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-14(19)13(8-12)16(20)21/h3-9,19H,2H2,1H3,(H,20,21)/b18-9+
InChIKeyPTWINAMUNXFNPL-GIJQJNRQSA-N
MW364.20 g/mol
LogP4.00
Rot. Bonds5

About 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid

5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid (PubChem CID 50885110) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
PubChem CID50885110
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESCCOc1ccc(Br)cc1/C=N/c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO4/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-14(19)13(8-12)16(20)21/h3-9,19H,2H2,1H3,(H,20,21)/b18-9+
InChIKeyPTWINAMUNXFNPL-GIJQJNRQSA-N
XLogP4.00
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-bromo-2-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126221971
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
(E)-3-(5-bromo-2-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 170872964
2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126114890
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
5-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885112
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
CID 135478369
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137045325
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
CID 135633379

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid (CID 50885110) is 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid is CCOc1ccc(Br)cc1/C=N/c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is PTWINAMUNXFNPL-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-2-22-15-6-3-11(17)7-10(15)9-18-12-4-5-14(19)13(8-12)16(20)21/h3-9,19H,2H2,1H3,(H,20,21)/b18-9+.
What are the key properties of 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid?
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid has a molecular weight of 364.20 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 50885110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).