2-amino-1-benzofuran-3-carboxylic acid

C9H7NO3 — CID 83449008

IUPAC2-amino-1-benzofuran-3-carboxylic acid
SMILESNc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C9H7NO3/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4H,10H2,(H,11,12)
InChIKeyGXXZMLDYZIPYRN-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.71
Rot. Bonds1

About 2-amino-1-benzofuran-3-carboxylic acid

2-amino-1-benzofuran-3-carboxylic acid (PubChem CID 83449008) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-benzofuran-3-carboxylic acid
PubChem CID83449008
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-amino-1-benzofuran-3-carboxylic acid
SMILESNc1oc2ccccc2c1C(=O)O
InChIInChI=1S/C9H7NO3/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4H,10H2,(H,11,12)
InChIKeyGXXZMLDYZIPYRN-UHFFFAOYSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-amino-1-benzofuran-3-carboxylic acid (CID 83449008) is 2-amino-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-amino-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-amino-1-benzofuran-3-carboxylic acid is Nc1oc2ccccc2c1C(=O)O.
What is the InChIKey of 2-amino-1-benzofuran-3-carboxylic acid?
The InChIKey is GXXZMLDYZIPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4H,10H2,(H,11,12).
What are the key properties of 2-amino-1-benzofuran-3-carboxylic acid?
2-amino-1-benzofuran-3-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 83449008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).