2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid

C14H12N2O4 — CID 90769809

IUPAC2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NNc2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H12N2O4/c17-13(18)9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14(19)20/h1-8,15-16H,(H,17,18)(H,19,20)
InChIKeyOJYLPFLUQBBTMU-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid

2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid (PubChem CID 90769809) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid
PubChem CID90769809
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(NNc2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H12N2O4/c17-13(18)9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14(19)20/h1-8,15-16H,(H,17,18)(H,19,20)
InChIKeyOJYLPFLUQBBTMU-UHFFFAOYSA-N
XLogP2.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid (CID 90769809) is 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid is O=C(O)c1ccc(NNc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid?
The InChIKey is OJYLPFLUQBBTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-13(18)9-5-7-10(8-6-9)15-16-12-4-2-1-3-11(12)14(19)20/h1-8,15-16H,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid?
2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-carboxyphenyl)hydrazinyl]benzoic acid is sourced from PubChem (CID 90769809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).