4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide

C7H5BrClFN2O — CID 146014259

IUPAC4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrClFN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12)
InChIKeyZCFXAWZBAODQPJ-UHFFFAOYSA-N
MW267.49 g/mol
LogP2.34
Rot. Bonds1

About 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide

4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 146014259) has the molecular formula C7H5BrClFN2O and a molecular weight of 267.49 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID146014259
Molecular FormulaC7H5BrClFN2O
Molecular Weight267.49 g/mol
Exact Mass265.93
IUPAC Name4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C7H5BrClFN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12)
InChIKeyZCFXAWZBAODQPJ-UHFFFAOYSA-N
XLogP2.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.49
LogP ≤ 52.34
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

4-chloro-2-fluoro-N'-hydroxy-6-iodobenzenecarboximidamide
CID 155888376
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
2-(5-bromo-2-fluorophenoxy)-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114673544
4-bromo-2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114905058
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
N'-amino-4-bromo-2-chlorobenzenecarboximidamide
CID 61361774
5-bromo-2-(2-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114893506
3-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide (CID 146014259) is 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZCFXAWZBAODQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFN2O/c8-3-1-4(9)6(5(10)2-3)7(11)12-13/h1-2,13H,(H2,11,12).
What are the key properties of 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide?
4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.49 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 146014259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).