5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide

C10H10BrFN2O — CID 59410618

IUPAC5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\C1CC1)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c11-6-1-4-9(12)8(5-6)10(14-15)13-7-2-3-7/h1,4-5,7,15H,2-3H2,(H,13,14)
InChIKeyDALYYVOBOMMEML-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.48
Rot. Bonds2

About 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide

5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide (PubChem CID 59410618) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide
PubChem CID59410618
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\C1CC1)c1cc(Br)ccc1F
InChIInChI=1S/C10H10BrFN2O/c11-6-1-4-9(12)8(5-6)10(14-15)13-7-2-3-7/h1,4-5,7,15H,2-3H2,(H,13,14)
InChIKeyDALYYVOBOMMEML-UHFFFAOYSA-N
XLogP2.48
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide?
The IUPAC name of 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide (CID 59410618) is 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide is ON/C(=N\C1CC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide?
The InChIKey is DALYYVOBOMMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-6-1-4-9(12)8(5-6)10(14-15)13-7-2-3-7/h1,4-5,7,15H,2-3H2,(H,13,14).
What are the key properties of 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide?
5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide has a molecular weight of 273.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 59410618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).