5-fluoro-N-hydroxyisoquinoline-8-carboxamide

C10H7FN2O2 — CID 82574328

IUPAC5-fluoro-N-hydroxyisoquinoline-8-carboxamide
SMILESO=C(NO)c1ccc(F)c2ccncc12
InChIInChI=1S/C10H7FN2O2/c11-9-2-1-7(10(14)13-15)8-5-12-4-3-6(8)9/h1-5,15H,(H,13,14)
InChIKeyYSPSPXLVLOOIQE-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.49
Rot. Bonds1

About 5-fluoro-N-hydroxyisoquinoline-8-carboxamide

5-fluoro-N-hydroxyisoquinoline-8-carboxamide (PubChem CID 82574328) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-fluoro-N-hydroxyisoquinoline-8-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-hydroxyisoquinoline-8-carboxamide
PubChem CID82574328
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-fluoro-N-hydroxyisoquinoline-8-carboxamide
SMILESO=C(NO)c1ccc(F)c2ccncc12
InChIInChI=1S/C10H7FN2O2/c11-9-2-1-7(10(14)13-15)8-5-12-4-3-6(8)9/h1-5,15H,(H,13,14)
InChIKeyYSPSPXLVLOOIQE-UHFFFAOYSA-N
XLogP1.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 5-fluoro-N-hydroxyisoquinoline-8-carboxamide?
The IUPAC name of 5-fluoro-N-hydroxyisoquinoline-8-carboxamide (CID 82574328) is 5-fluoro-N-hydroxyisoquinoline-8-carboxamide.
What is the SMILES notation for 5-fluoro-N-hydroxyisoquinoline-8-carboxamide?
The canonical SMILES for 5-fluoro-N-hydroxyisoquinoline-8-carboxamide is O=C(NO)c1ccc(F)c2ccncc12.
What is the InChIKey of 5-fluoro-N-hydroxyisoquinoline-8-carboxamide?
The InChIKey is YSPSPXLVLOOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-9-2-1-7(10(14)13-15)8-5-12-4-3-6(8)9/h1-5,15H,(H,13,14).
What are the key properties of 5-fluoro-N-hydroxyisoquinoline-8-carboxamide?
5-fluoro-N-hydroxyisoquinoline-8-carboxamide has a molecular weight of 206.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hydroxyisoquinoline-8-carboxamide is sourced from PubChem (CID 82574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).