3-fluoro-2-(hydroxyamino)benzoic acid

C7H6FNO3 — CID 82863522

IUPAC3-fluoro-2-(hydroxyamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NO
InChIInChI=1S/C7H6FNO3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3,9,12H,(H,10,11)
InChIKeyNHAJZIISCKFNIC-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.33
Rot. Bonds2

About 3-fluoro-2-(hydroxyamino)benzoic acid

3-fluoro-2-(hydroxyamino)benzoic acid (PubChem CID 82863522) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 3-fluoro-2-(hydroxyamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(hydroxyamino)benzoic acid
PubChem CID82863522
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name3-fluoro-2-(hydroxyamino)benzoic acid
SMILESO=C(O)c1cccc(F)c1NO
InChIInChI=1S/C7H6FNO3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3,9,12H,(H,10,11)
InChIKeyNHAJZIISCKFNIC-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

2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
2-[(2,6-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107688173
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
3-fluoro-2-(2,3,5-trifluoroanilino)benzoic acid
CID 63538858
3-fluoro-2-(5-methylhexan-2-ylamino)benzoic acid
CID 63925104
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(hydroxyamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(hydroxyamino)benzoic acid (CID 82863522) is 3-fluoro-2-(hydroxyamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(hydroxyamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(hydroxyamino)benzoic acid is O=C(O)c1cccc(F)c1NO.
What is the InChIKey of 3-fluoro-2-(hydroxyamino)benzoic acid?
The InChIKey is NHAJZIISCKFNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3,9,12H,(H,10,11).
What are the key properties of 3-fluoro-2-(hydroxyamino)benzoic acid?
3-fluoro-2-(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 3-fluoro-2-(hydroxyamino)benzoic acid is sourced from PubChem (CID 82863522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).