2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid

C16H12N2O4 — CID 69303300

IUPAC2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/N=C/c1ccccc1C(=O)O
InChIInChI=1S/C16H12N2O4/c19-15(20)13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16(21)22/h1-10H,(H,19,20)(H,21,22)/b17-9+,18-10+
InChIKeyVEKFVASUNHMHME-BEQMOXJMSA-N
MW296.28 g/mol
LogP2.54
Rot. Bonds5

About 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid

2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid (PubChem CID 69303300) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
PubChem CID69303300
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=N/N=C/c1ccccc1C(=O)O
InChIInChI=1S/C16H12N2O4/c19-15(20)13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16(21)22/h1-10H,(H,19,20)(H,21,22)/b17-9+,18-10+
InChIKeyVEKFVASUNHMHME-BEQMOXJMSA-N
XLogP2.54
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-formylbenzoic acid;methoxymethane
CID 90858085
2-[(E)-piperidin-1-yliminomethyl]benzoic acid
CID 24560902
2-ethenylbenzoic acid;europium
CID 174925184
2-[[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 5380791
2-[(E)-(oxamoylhydrazinylidene)methyl]benzoic acid
CID 6907785
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047
2-[(E)-[[5-[(2Z)-2-[(2-carboxyphenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoic acid
CID 6861545
2-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5418070
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
CID 6908575
2-[(E)-[aminomethyl(methyl)hydrazinylidene]methyl]benzoic acid
CID 175404290
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The IUPAC name of 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid (CID 69303300) is 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid is O=C(O)c1ccccc1/C=N/N=C/c1ccccc1C(=O)O.
What is the InChIKey of 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
The InChIKey is VEKFVASUNHMHME-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-15(20)13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16(21)22/h1-10H,(H,19,20)(H,21,22)/b17-9+,18-10+.
What are the key properties of 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid?
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 69303300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).