4,5-difluoro-2-hydrazinylbenzoic acid

C7H6F2N2O2 — CID 83235980

IUPAC4,5-difluoro-2-hydrazinylbenzoic acid
SMILESNNc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C7H6F2N2O2/c8-4-1-3(7(12)13)6(11-10)2-5(4)9/h1-2,11H,10H2,(H,12,13)
InChIKeyWLMXCWKBCLZPHN-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.95
Rot. Bonds2

About 4,5-difluoro-2-hydrazinylbenzoic acid

4,5-difluoro-2-hydrazinylbenzoic acid (PubChem CID 83235980) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4,5-difluoro-2-hydrazinylbenzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-hydrazinylbenzoic acid
PubChem CID83235980
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name4,5-difluoro-2-hydrazinylbenzoic acid
SMILESNNc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C7H6F2N2O2/c8-4-1-3(7(12)13)6(11-10)2-5(4)9/h1-2,11H,10H2,(H,12,13)
InChIKeyWLMXCWKBCLZPHN-UHFFFAOYSA-N
XLogP0.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
2-(2-aminobutanoylamino)-4,5-difluorobenzoic acid
CID 55129479
2-[(3-amino-3-methylbutanoyl)amino]-4,5-difluorobenzoic acid
CID 64679134
4,5-difluoro-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 62865922
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4,5-difluoro-2-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 55129854
2-[(3-chloro-2-hydroxypropyl)amino]-4,5-difluorobenzoic acid
CID 168636336
4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
4,5-difluoro-2-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 62865365
4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 62865537

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-hydrazinylbenzoic acid?
The IUPAC name of 4,5-difluoro-2-hydrazinylbenzoic acid (CID 83235980) is 4,5-difluoro-2-hydrazinylbenzoic acid.
What is the SMILES notation for 4,5-difluoro-2-hydrazinylbenzoic acid?
The canonical SMILES for 4,5-difluoro-2-hydrazinylbenzoic acid is NNc1cc(F)c(F)cc1C(=O)O.
What is the InChIKey of 4,5-difluoro-2-hydrazinylbenzoic acid?
The InChIKey is WLMXCWKBCLZPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c8-4-1-3(7(12)13)6(11-10)2-5(4)9/h1-2,11H,10H2,(H,12,13).
What are the key properties of 4,5-difluoro-2-hydrazinylbenzoic acid?
4,5-difluoro-2-hydrazinylbenzoic acid has a molecular weight of 188.13 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-hydrazinylbenzoic acid is sourced from PubChem (CID 83235980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).