6-chloro-1-benzofuran-7-amine

C8H6ClNO — CID 22140793

IUPAC6-chloro-1-benzofuran-7-amine
SMILESNc1c(Cl)ccc2ccoc12
InChIInChI=1S/C8H6ClNO/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4H,10H2
InChIKeyHLBZNYOCYAXWMB-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.67
Rot. Bonds

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

6-chloro-1-benzofuran-7-amine (PubChem CID 22140793) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 6-chloro-1-benzofuran-7-amine.

Molecular Properties

Compound Name6-chloro-1-benzofuran-7-amine
PubChem CID22140793
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name6-chloro-1-benzofuran-7-amine
SMILESNc1c(Cl)ccc2ccoc12
InChIInChI=1S/C8H6ClNO/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4H,10H2
InChIKeyHLBZNYOCYAXWMB-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.67
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 6-chloro-1-benzofuran-7-amine?
The IUPAC name of 6-chloro-1-benzofuran-7-amine (CID 22140793) is 6-chloro-1-benzofuran-7-amine.
What is the SMILES notation for 6-chloro-1-benzofuran-7-amine?
The canonical SMILES for 6-chloro-1-benzofuran-7-amine is Nc1c(Cl)ccc2ccoc12.
What is the InChIKey of 6-chloro-1-benzofuran-7-amine?
The InChIKey is HLBZNYOCYAXWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4H,10H2.
What are the key properties of 6-chloro-1-benzofuran-7-amine?
6-chloro-1-benzofuran-7-amine has a molecular weight of 167.59 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-benzofuran-7-amine is sourced from PubChem (CID 22140793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).