3-fluoro-N',4-dihydroxybenzenecarboximidamide

C7H7FN2O2 — CID 135741555

IUPAC3-fluoro-N',4-dihydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(O)c(F)c1
InChIInChI=1S/C7H7FN2O2/c8-5-3-4(7(9)10-12)1-2-6(5)11/h1-3,11-12H,(H2,9,10)
InChIKeyIRXKMKHROUUOLJ-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.63
Rot. Bonds1

About 3-fluoro-N',4-dihydroxybenzenecarboximidamide

3-fluoro-N',4-dihydroxybenzenecarboximidamide (PubChem CID 135741555) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 3-fluoro-N',4-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N',4-dihydroxybenzenecarboximidamide
PubChem CID135741555
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name3-fluoro-N',4-dihydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(O)c(F)c1
InChIInChI=1S/C7H7FN2O2/c8-5-3-4(7(9)10-12)1-2-6(5)11/h1-3,11-12H,(H2,9,10)
InChIKeyIRXKMKHROUUOLJ-UHFFFAOYSA-N
XLogP0.63
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
CID 76644653
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 123200565
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 123403240
3-fluoro-N'-hydroxy-4-(2-methylbutan-2-yloxymethyl)benzenecarboximidamide
CID 43128405
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N',4-dihydroxybenzenecarboximidamide?
The IUPAC name of 3-fluoro-N',4-dihydroxybenzenecarboximidamide (CID 135741555) is 3-fluoro-N',4-dihydroxybenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N',4-dihydroxybenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N',4-dihydroxybenzenecarboximidamide is NC(=NO)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-N',4-dihydroxybenzenecarboximidamide?
The InChIKey is IRXKMKHROUUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-5-3-4(7(9)10-12)1-2-6(5)11/h1-3,11-12H,(H2,9,10).
What are the key properties of 3-fluoro-N',4-dihydroxybenzenecarboximidamide?
3-fluoro-N',4-dihydroxybenzenecarboximidamide has a molecular weight of 170.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N',4-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 135741555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).