3-bromo-1-benzofuran-7-amine

C8H6BrNO — CID 82230627

IUPAC3-bromo-1-benzofuran-7-amine
SMILESNc1cccc2c(Br)coc12
InChIInChI=1S/C8H6BrNO/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H,10H2
InChIKeyJFLMFXAEDIKFKD-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.78
Rot. Bonds

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

3-bromo-1-benzofuran-7-amine (PubChem CID 82230627) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 3-bromo-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-bromo-1-benzofuran-7-amine
PubChem CID82230627
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name3-bromo-1-benzofuran-7-amine
SMILESNc1cccc2c(Br)coc12
InChIInChI=1S/C8H6BrNO/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H,10H2
InChIKeyJFLMFXAEDIKFKD-UHFFFAOYSA-N
XLogP2.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.78
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-1-benzofuran-7-amine?
The IUPAC name of 3-bromo-1-benzofuran-7-amine (CID 82230627) is 3-bromo-1-benzofuran-7-amine.
What is the SMILES notation for 3-bromo-1-benzofuran-7-amine?
The canonical SMILES for 3-bromo-1-benzofuran-7-amine is Nc1cccc2c(Br)coc12.
What is the InChIKey of 3-bromo-1-benzofuran-7-amine?
The InChIKey is JFLMFXAEDIKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H,10H2.
What are the key properties of 3-bromo-1-benzofuran-7-amine?
3-bromo-1-benzofuran-7-amine has a molecular weight of 212.05 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-benzofuran-7-amine is sourced from PubChem (CID 82230627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).