4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

C14H11BrN2O3 — CID 136867347

IUPAC4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C\c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H11BrN2O3/c15-11-3-6-13(18)10(7-11)8-16-17-12-4-1-9(2-5-12)14(19)20/h1-8,17-18H,(H,19,20)/b16-8-
InChIKeyXHEPXSZOMOOKPJ-PXNMLYILSA-N
MW335.16 g/mol
LogP3.30
Rot. Bonds4

About 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 136867347) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID136867347
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C\c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H11BrN2O3/c15-11-3-6-13(18)10(7-11)8-16-17-12-4-1-9(2-5-12)14(19)20/h1-8,17-18H,(H,19,20)/b16-8-
InChIKeyXHEPXSZOMOOKPJ-PXNMLYILSA-N
XLogP3.30
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 136867347) is 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccc(N/N=C\c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is XHEPXSZOMOOKPJ-PXNMLYILSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-11-3-6-13(18)10(7-11)8-16-17-12-4-1-9(2-5-12)14(19)20/h1-8,17-18H,(H,19,20)/b16-8-.
What are the key properties of 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 335.16 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 136867347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).