2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide

C9H11BrN2O3 — CID 107278941

IUPAC2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCO)cc1Br
InChIInChI=1S/C9H11BrN2O3/c10-8-5-6(15-4-3-13)1-2-7(8)9(11)12-14/h1-2,5,13-14H,3-4H2,(H2,11,12)
InChIKeyXIPJNDMZIPUBBS-UHFFFAOYSA-N
MW275.10 g/mol
LogP0.91
Rot. Bonds4

About 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide

2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide (PubChem CID 107278941) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
PubChem CID107278941
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCO)cc1Br
InChIInChI=1S/C9H11BrN2O3/c10-8-5-6(15-4-3-13)1-2-7(8)9(11)12-14/h1-2,5,13-14H,3-4H2,(H2,11,12)
InChIKeyXIPJNDMZIPUBBS-UHFFFAOYSA-N
XLogP0.91
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
2-bromo-4-(cyclopropylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 107278940
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
2-bromo-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 107279012
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
2-bromo-4-(3,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279000
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
2-bromo-N'-hydroxy-4-(4-propylphenoxy)benzenecarboximidamide
CID 107278998
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 107658343
2-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 107275304
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide (CID 107278941) is 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(OCCO)cc1Br.
What is the InChIKey of 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide?
The InChIKey is XIPJNDMZIPUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-8-5-6(15-4-3-13)1-2-7(8)9(11)12-14/h1-2,5,13-14H,3-4H2,(H2,11,12).
What are the key properties of 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide has a molecular weight of 275.10 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 107278941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).