5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide

C8H9BrN2O — CID 137224819

IUPAC5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C8H9BrN2O/c1-11-8(10)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H2,10,11)
InChIKeyMDZSHCKKYPSCIK-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.49
Rot. Bonds1

About 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide

5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 137224819) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID137224819
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Br)ccc1O
InChIInChI=1S/C8H9BrN2O/c1-11-8(10)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H2,10,11)
InChIKeyMDZSHCKKYPSCIK-UHFFFAOYSA-N
XLogP1.49
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.49
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide (CID 137224819) is 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is MDZSHCKKYPSCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-11-8(10)6-4-5(9)2-3-7(6)12/h2-4,12H,1H3,(H2,10,11).
What are the key properties of 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide?
5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 229.08 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 137224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).