7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide

C9H7BrN2OS — CID 118056521

IUPAC7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N\O)c1cc2cccc(Br)c2s1
InChIInChI=1S/C9H7BrN2OS/c10-6-3-1-2-5-4-7(9(11)12-13)14-8(5)6/h1-4,13H,(H2,11,12)
InChIKeyHCHXPJOAMTXEEP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.76
Rot. Bonds1

About 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide

7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide (PubChem CID 118056521) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide
PubChem CID118056521
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N\O)c1cc2cccc(Br)c2s1
InChIInChI=1S/C9H7BrN2OS/c10-6-3-1-2-5-4-7(9(11)12-13)14-8(5)6/h1-4,13H,(H2,11,12)
InChIKeyHCHXPJOAMTXEEP-UHFFFAOYSA-N
XLogP2.76
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide?
The IUPAC name of 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide (CID 118056521) is 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide is N/C(=N\O)c1cc2cccc(Br)c2s1.
What is the InChIKey of 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide?
The InChIKey is HCHXPJOAMTXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-6-3-1-2-5-4-7(9(11)12-13)14-8(5)6/h1-4,13H,(H2,11,12).
What are the key properties of 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide?
7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide has a molecular weight of 271.14 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 118056521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).