2-nitro-1-benzofuran-6-ol

C8H5NO4 — CID 13400702

IUPAC2-nitro-1-benzofuran-6-ol
SMILESO=[N+]([O-])c1cc2ccc(O)cc2o1
InChIInChI=1S/C8H5NO4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H
InChIKeyRJFGJOOCOMCIBL-UHFFFAOYSA-N
MW179.13 g/mol
LogP2.05
Rot. Bonds1

About 2-nitro-1-benzofuran-6-ol

2-nitro-1-benzofuran-6-ol (PubChem CID 13400702) has the molecular formula C8H5NO4 and a molecular weight of 179.13 g/mol. Its IUPAC name is 2-nitro-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-nitro-1-benzofuran-6-ol
PubChem CID13400702
Molecular FormulaC8H5NO4
Molecular Weight179.13 g/mol
Exact Mass179.02
IUPAC Name2-nitro-1-benzofuran-6-ol
SMILESO=[N+]([O-])c1cc2ccc(O)cc2o1
InChIInChI=1S/C8H5NO4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H
InChIKeyRJFGJOOCOMCIBL-UHFFFAOYSA-N
XLogP2.05
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 2-nitro-1-benzofuran-6-ol?
The IUPAC name of 2-nitro-1-benzofuran-6-ol (CID 13400702) is 2-nitro-1-benzofuran-6-ol.
What is the SMILES notation for 2-nitro-1-benzofuran-6-ol?
The canonical SMILES for 2-nitro-1-benzofuran-6-ol is O=[N+]([O-])c1cc2ccc(O)cc2o1.
What is the InChIKey of 2-nitro-1-benzofuran-6-ol?
The InChIKey is RJFGJOOCOMCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4,10H.
What are the key properties of 2-nitro-1-benzofuran-6-ol?
2-nitro-1-benzofuran-6-ol has a molecular weight of 179.13 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-benzofuran-6-ol is sourced from PubChem (CID 13400702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).