2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide

C11H13BrN2O3 — CID 114883519

IUPAC2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OC1CCOC1
InChIInChI=1S/C11H13BrN2O3/c12-8-2-1-3-9(10(8)11(13)14-15)17-7-4-5-16-6-7/h1-3,7,15H,4-6H2,(H2,13,14)
InChIKeyNYZHPJYHTAMPQJ-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.71
Rot. Bonds3

About 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide (PubChem CID 114883519) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
PubChem CID114883519
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OC1CCOC1
InChIInChI=1S/C11H13BrN2O3/c12-8-2-1-3-9(10(8)11(13)14-15)17-7-4-5-16-6-7/h1-3,7,15H,4-6H2,(H2,13,14)
InChIKeyNYZHPJYHTAMPQJ-UHFFFAOYSA-N
XLogP1.71
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-chloro-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 55213919
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-chloro-N'-hydroxy-6-(oxan-4-yloxy)benzenecarboximidamide
CID 76945209
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
CID 96542046
2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-chloro-6-cyclohexyloxy-N'-hydroxybenzenecarboximidamide
CID 62496519
N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
CID 107656852
2-(oxolan-3-yloxy)benzamide
CID 68643948
methyl 2-hydroxy-6-[(3R)-oxolan-3-yl]oxybenzoate
CID 66746226

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide (CID 114883519) is 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1OC1CCOC1.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide?
The InChIKey is NYZHPJYHTAMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-2-1-3-9(10(8)11(13)14-15)17-7-4-5-16-6-7/h1-3,7,15H,4-6H2,(H2,13,14).
What are the key properties of 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide has a molecular weight of 301.14 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 114883519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).