3-bromo-6-chloro-1-benzofuran-7-amine

C8H5BrClNO — CID 22591482

IUPAC3-bromo-6-chloro-1-benzofuran-7-amine
SMILESNc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C8H5BrClNO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H,11H2
InChIKeyQFRIYAZZALXBHK-UHFFFAOYSA-N
MW246.49 g/mol
LogP3.43
Rot. Bonds

About 3-bromo-6-chloro-1-benzofuran-7-amine

3-bromo-6-chloro-1-benzofuran-7-amine (PubChem CID 22591482) has the molecular formula C8H5BrClNO and a molecular weight of 246.49 g/mol. Its IUPAC name is 3-bromo-6-chloro-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-bromo-6-chloro-1-benzofuran-7-amine
PubChem CID22591482
Molecular FormulaC8H5BrClNO
Molecular Weight246.49 g/mol
Exact Mass244.92
IUPAC Name3-bromo-6-chloro-1-benzofuran-7-amine
SMILESNc1c(Cl)ccc2c(Br)coc12
InChIInChI=1S/C8H5BrClNO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H,11H2
InChIKeyQFRIYAZZALXBHK-UHFFFAOYSA-N
XLogP3.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-1-benzofuran-7-amine?
The IUPAC name of 3-bromo-6-chloro-1-benzofuran-7-amine (CID 22591482) is 3-bromo-6-chloro-1-benzofuran-7-amine.
What is the SMILES notation for 3-bromo-6-chloro-1-benzofuran-7-amine?
The canonical SMILES for 3-bromo-6-chloro-1-benzofuran-7-amine is Nc1c(Cl)ccc2c(Br)coc12.
What is the InChIKey of 3-bromo-6-chloro-1-benzofuran-7-amine?
The InChIKey is QFRIYAZZALXBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO/c9-5-3-12-8-4(5)1-2-6(10)7(8)11/h1-3H,11H2.
What are the key properties of 3-bromo-6-chloro-1-benzofuran-7-amine?
3-bromo-6-chloro-1-benzofuran-7-amine has a molecular weight of 246.49 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-1-benzofuran-7-amine is sourced from PubChem (CID 22591482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).