3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

C14H12N2O3 — CID 136807782

IUPAC3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C\c2ccccc2O)c1
InChIInChI=1S/C14H12N2O3/c17-13-7-2-1-4-11(13)9-15-16-12-6-3-5-10(8-12)14(18)19/h1-9,16-17H,(H,18,19)/b15-9-
InChIKeyNKWJGSDGBHNSSS-DHDCSXOGSA-N
MW256.26 g/mol
LogP2.54
Rot. Bonds4

About 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid

3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 136807782) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID136807782
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1cccc(N/N=C\c2ccccc2O)c1
InChIInChI=1S/C14H12N2O3/c17-13-7-2-1-4-11(13)9-15-16-12-6-3-5-10(8-12)14(18)19/h1-9,16-17H,(H,18,19)/b15-9-
InChIKeyNKWJGSDGBHNSSS-DHDCSXOGSA-N
XLogP2.54
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.54
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-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
3-[2-[(2-methylphenyl)methylidene]hydrazinyl]benzoic acid
CID 78596974
3-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]benzoic acid
CID 88896863
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2E)-2-[(2-fluoro-5-iodophenyl)methylidene]hydrazinyl]benzoic acid
CID 59339716
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
3-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110841476
3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
3-[2-(3-phenylpropylidene)hydrazinyl]benzoic acid
CID 110841503

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid (CID 136807782) is 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1cccc(N/N=C\c2ccccc2O)c1.
What is the InChIKey of 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is NKWJGSDGBHNSSS-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-7-2-1-4-11(13)9-15-16-12-6-3-5-10(8-12)14(18)19/h1-9,16-17H,(H,18,19)/b15-9-.
What are the key properties of 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid?
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 256.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 136807782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).