2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

C14H10Br2N2O3 — CID 135685298

IUPAC2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br2N2O3/c15-9-5-8(13(19)11(16)6-9)7-17-18-12-4-2-1-3-10(12)14(20)21/h1-7,18-19H,(H,20,21)/b17-7+
InChIKeyQYJZVCMXNOJUAE-REZTVBANSA-N
MW414.05 g/mol
LogP4.06
Rot. Bonds4

About 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 135685298) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID135685298
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br2N2O3/c15-9-5-8(13(19)11(16)6-9)7-17-18-12-4-2-1-3-10(12)14(20)21/h1-7,18-19H,(H,20,21)/b17-7+
InChIKeyQYJZVCMXNOJUAE-REZTVBANSA-N
XLogP4.06
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-(3,5-Dibromo-2-hydroxybenzylidene)hydrazinyl)benzoic acid
CID 135516998
3-{[(1E)-(3,5-dibromo-2-hydroxyphenyl)methylene]amino}-4-methylbenzoic acid
CID 4220651
2,4-dibromo-6-[(E)-(2-phenylhydrazinylidene)methyl]phenol
CID 135589407
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455568
Benzoic acid, 2-[[(5-bromo-2-hydroxyphenyl)methylene]amino]-
CID 691000
2-Amino-3,5-dibromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135615475
2-Amino-3,5-dibromo-N'-(5-bromo-2-hydroxybenzylidene)benzohydrazide
CID 135615811
4-[(3,5-Dibromo-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 3610883
2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135781396
2-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135520653
4-amino-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135576312
((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide
CID 139049850

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 135685298) is 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is QYJZVCMXNOJUAE-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-9-5-8(13(19)11(16)6-9)7-17-18-12-4-2-1-3-10(12)14(20)21/h1-7,18-19H,(H,20,21)/b17-7+.
What are the key properties of 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 414.05 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 135685298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).