2-fluoro-4-(hydroxyamino)benzoic acid

C7H6FNO3 — CID 142889242

IUPAC2-fluoro-4-(hydroxyamino)benzoic acid
SMILESO=C(O)c1ccc(NO)cc1F
InChIInChI=1S/C7H6FNO3/c8-6-3-4(9-12)1-2-5(6)7(10)11/h1-3,9,12H,(H,10,11)
InChIKeyGYDZLRRBQVPGNV-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.33
Rot. Bonds2

About 2-fluoro-4-(hydroxyamino)benzoic acid

2-fluoro-4-(hydroxyamino)benzoic acid (PubChem CID 142889242) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxyamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(hydroxyamino)benzoic acid
PubChem CID142889242
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-fluoro-4-(hydroxyamino)benzoic acid
SMILESO=C(O)c1ccc(NO)cc1F
InChIInChI=1S/C7H6FNO3/c8-6-3-4(9-12)1-2-5(6)7(10)11/h1-3,9,12H,(H,10,11)
InChIKeyGYDZLRRBQVPGNV-UHFFFAOYSA-N
XLogP1.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
2-fluoro-4-(trifluoromethylsulfonylamino)benzoic acid
CID 58727995
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
2-fluoro-4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 115485537
2-fluoro-4-[(2-methyl-2-methylsulfonylpropyl)amino]benzoic acid
CID 115485540
2-fluoro-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzoic acid
CID 114150322
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxyamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(hydroxyamino)benzoic acid (CID 142889242) is 2-fluoro-4-(hydroxyamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(hydroxyamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(hydroxyamino)benzoic acid is O=C(O)c1ccc(NO)cc1F.
What is the InChIKey of 2-fluoro-4-(hydroxyamino)benzoic acid?
The InChIKey is GYDZLRRBQVPGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-6-3-4(9-12)1-2-5(6)7(10)11/h1-3,9,12H,(H,10,11).
What are the key properties of 2-fluoro-4-(hydroxyamino)benzoic acid?
2-fluoro-4-(hydroxyamino)benzoic acid has a molecular weight of 171.13 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxyamino)benzoic acid is sourced from PubChem (CID 142889242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).