2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid

C15H13BrN2O3 — CID 154810516

IUPAC2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN2O3/c1-9(12-8-10(16)6-7-14(12)19)17-18-13-5-3-2-4-11(13)15(20)21/h2-8,18-19H,1H3,(H,20,21)/b17-9+
InChIKeyBAMVBRRQXOFYCA-RQZCQDPDSA-N
MW349.18 g/mol
LogP3.69
Rot. Bonds4

About 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 154810516) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID154810516
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESC/C(=N\Nc1ccccc1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN2O3/c1-9(12-8-10(16)6-7-14(12)19)17-18-13-5-3-2-4-11(13)15(20)21/h2-8,18-19H,1H3,(H,20,21)/b17-9+
InChIKeyBAMVBRRQXOFYCA-RQZCQDPDSA-N
XLogP3.69
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.69
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'}

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Related Compounds

1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
4-bromo-2-(2-carboxyanilino)benzoic acid
CID 13257846
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
4-amino-N-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135622325
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
5-bromo-2-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169341935
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
2-[(2E)-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]benzoic acid
CID 95765462
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid (CID 154810516) is 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is C/C(=N\Nc1ccccc1C(=O)O)c1cc(Br)ccc1O.
What is the InChIKey of 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is BAMVBRRQXOFYCA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9(12-8-10(16)6-7-14(12)19)17-18-13-5-3-2-4-11(13)15(20)21/h2-8,18-19H,1H3,(H,20,21)/b17-9+.
What are the key properties of 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 349.18 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(5-bromo-2-hydroxyphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 154810516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).