2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid

C9H8FN3O2 — CID 144671454

IUPAC2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid
SMILES[H]/N=C/C=N\Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H8FN3O2/c10-8-2-1-6(13-12-4-3-11)5-7(8)9(14)15/h1-5,11,13H,(H,14,15)/b11-3+,12-4-
InChIKeyQXQHDHCMAKKOCG-PBFXCFKWSA-N
MW209.18 g/mol
LogP1.57
Rot. Bonds4

About 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid

2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid (PubChem CID 144671454) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid
PubChem CID144671454
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid
SMILES[H]/N=C/C=N\Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C9H8FN3O2/c10-8-2-1-6(13-12-4-3-11)5-7(8)9(14)15/h1-5,11,13H,(H,14,15)/b11-3+,12-4-
InChIKeyQXQHDHCMAKKOCG-PBFXCFKWSA-N
XLogP1.57
TPSA85.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.57
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid (CID 144671454) is 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid is [H]/N=C/C=N\Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid?
The InChIKey is QXQHDHCMAKKOCG-PBFXCFKWSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-8-2-1-6(13-12-4-3-11)5-7(8)9(14)15/h1-5,11,13H,(H,14,15)/b11-3+,12-4-.
What are the key properties of 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid?
2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid has a molecular weight of 209.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 144671454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).