(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride

C7H4BrCl2NO — CID 106892109

IUPAC(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C7H4BrCl2NO/c8-6-2-1-4(9)3-5(6)7(10)11-12/h1-3,12H/b11-7+
InChIKeyJALGURPOGMTYLX-YRNVUSSQSA-N
MW268.93 g/mol
LogP3.48
Rot. Bonds1

About (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride

(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 106892109) has the molecular formula C7H4BrCl2NO and a molecular weight of 268.93 g/mol. Its IUPAC name is (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID106892109
Molecular FormulaC7H4BrCl2NO
Molecular Weight268.93 g/mol
Exact Mass266.89
IUPAC Name(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cc(Cl)ccc1Br
InChIInChI=1S/C7H4BrCl2NO/c8-6-2-1-4(9)3-5(6)7(10)11-12/h1-3,12H/b11-7+
InChIKeyJALGURPOGMTYLX-YRNVUSSQSA-N
XLogP3.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(1Z)-2-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 155819579
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
6-chloro-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137208298
3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 130174117
(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506140
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
tert-butyl 2-bromo-5-chlorobenzoate
CID 59447603
2-(2-bromo-4-methylphenoxy)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944539
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329

Frequently Asked Questions

What is the IUPAC name of (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride (CID 106892109) is (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(/Cl)c1cc(Cl)ccc1Br.
What is the InChIKey of (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is JALGURPOGMTYLX-YRNVUSSQSA-N. The full InChI is InChI=1S/C7H4BrCl2NO/c8-6-2-1-4(9)3-5(6)7(10)11-12/h1-3,12H/b11-7+.
What are the key properties of (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride?
(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 268.93 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 106892109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).