5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide

C7H6ClFN2O — CID 82490852

IUPAC5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyHRWCNKCZOHIVSA-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.57
Rot. Bonds1

About 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide

5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 82490852) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID82490852
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC Name5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKeyHRWCNKCZOHIVSA-UHFFFAOYSA-N
XLogP1.57
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.57
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
5-chloro-2-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 76992475
2-(4-bromo-3-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 77059489
5-chloro-2-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 55101609
2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
CID 114959563
2-(3-bromo-5-fluorophenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 81331312
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-2-(3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 55182535
4-chloro-2-(3-chloro-2-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 116689156
4-chloro-N'-hydroxybicyclo[4.2.0]octa-1(6),2,4,7-tetraene-7-carboximidamide
CID 88825083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 82490852) is 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HRWCNKCZOHIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c8-4-1-2-6(9)5(3-4)7(10)11-12/h1-3,12H,(H2,10,11).
What are the key properties of 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide?
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 188.59 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82490852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).