2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide

C10H8FIN4O — CID 79520207

IUPAC2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1cc(I)cn1
InChIInChI=1S/C10H8FIN4O/c11-7-2-1-3-8(9(7)10(13)15-17)16-5-6(12)4-14-16/h1-5,17H,(H2,13,15)
InChIKeyNIJBOCNMLVKORL-UHFFFAOYSA-N
MW346.10 g/mol
LogP1.71
Rot. Bonds2

About 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide (PubChem CID 79520207) has the molecular formula C10H8FIN4O and a molecular weight of 346.10 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide
PubChem CID79520207
Molecular FormulaC10H8FIN4O
Molecular Weight346.10 g/mol
Exact Mass345.97
IUPAC Name2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1c(F)cccc1-n1cc(I)cn1
InChIInChI=1S/C10H8FIN4O/c11-7-2-1-3-8(9(7)10(13)15-17)16-5-6(12)4-14-16/h1-5,17H,(H2,13,15)
InChIKeyNIJBOCNMLVKORL-UHFFFAOYSA-N
XLogP1.71
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide (CID 79520207) is 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide is NC(=NO)c1c(F)cccc1-n1cc(I)cn1.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide?
The InChIKey is NIJBOCNMLVKORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN4O/c11-7-2-1-3-8(9(7)10(13)15-17)16-5-6(12)4-14-16/h1-5,17H,(H2,13,15).
What are the key properties of 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide has a molecular weight of 346.10 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(4-iodopyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 79520207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).