2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate

C15H13N2O4- — CID 135708289

IUPAC2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
SMILESCOc1cccc(/C=N/Nc2ccccc2C(=O)O)c1[O-]
InChIInChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+
InChIKeyFQBRUNFXUVATIF-CXUHLZMHSA-M
MW285.28 g/mol
LogP1.91
Rot. Bonds5

About 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate

2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate (PubChem CID 135708289) has the molecular formula C15H13N2O4- and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate.

Molecular Properties

Compound Name2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
PubChem CID135708289
Molecular FormulaC15H13N2O4-
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate
SMILESCOc1cccc(/C=N/Nc2ccccc2C(=O)O)c1[O-]
InChIInChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+
InChIKeyFQBRUNFXUVATIF-CXUHLZMHSA-M
XLogP1.91
TPSA93.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(manganese(2+));methanol;perchlorate
CID 139078944
2-[(2E)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339562
2-[(2E)-2-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110338657
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]benzenesulfonate
CID 142408404
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139
octakis(holmium(3+));octakis(2-methoxy-6-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenolate);tetrakis(oxygen(2-));tetraacetate;dicarbonate
CID 139179069
tris(2-[(E)-(benzoylhydrazinylidene)methyl]-6-methoxyphenolate);bis(dysprosium(3+));ethanol;triisothiocyanate
CID 139140670

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate?
The IUPAC name of 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate (CID 135708289) is 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate.
What is the SMILES notation for 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate?
The canonical SMILES for 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate is COc1cccc(/C=N/Nc2ccccc2C(=O)O)c1[O-].
What is the InChIKey of 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate?
The InChIKey is FQBRUNFXUVATIF-CXUHLZMHSA-M. The full InChI is InChI=1S/C15H14N2O4/c1-21-13-8-4-5-10(14(13)18)9-16-17-12-7-3-2-6-11(12)15(19)20/h2-9,17-18H,1H3,(H,19,20)/p-1/b16-9+.
What are the key properties of 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate?
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate has a molecular weight of 285.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-6-methoxyphenolate is sourced from PubChem (CID 135708289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).