3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid

C15H12N2O5 — CID 135406957

IUPAC3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(/C=N/Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c18-13-6-5-9(14(19)20)7-10(13)8-16-17-12-4-2-1-3-11(12)15(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b16-8+
InChIKeyCJQMHEVOSFLAEK-LZYBPNLTSA-N
MW300.27 g/mol
LogP2.23
Rot. Bonds5

About 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid

3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid (PubChem CID 135406957) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
PubChem CID135406957
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(/C=N/Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c18-13-6-5-9(14(19)20)7-10(13)8-16-17-12-4-2-1-3-11(12)15(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b16-8+
InChIKeyCJQMHEVOSFLAEK-LZYBPNLTSA-N
XLogP2.23
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

4-hydroxy-3-[(E)-[[2-(trifluoromethoxy)phenyl]hydrazinylidene]methyl]benzoic acid
CID 135433589
3-[(E)-[(3-chloro-2-methylphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135433508
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
CID 3905063
4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136867347
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]benzenesulfonate
CID 142408404
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid (CID 135406957) is 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(/C=N/Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
The InChIKey is CJQMHEVOSFLAEK-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-13-6-5-9(14(19)20)7-10(13)8-16-17-12-4-2-1-3-11(12)15(21)22/h1-8,17-18H,(H,19,20)(H,21,22)/b16-8+.
What are the key properties of 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid?
3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid has a molecular weight of 300.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 135406957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).