2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid

C12H8N2O6 — CID 175239170

IUPAC2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid
SMILESNc1oc2cc3c(C(=O)O)c(N)oc3cc2c1C(=O)O
InChIInChI=1S/C12H8N2O6/c13-9-7(11(15)16)3-1-5-4(2-6(3)20-9)8(12(17)18)10(14)19-5/h1-2H,13-14H2,(H,15,16)(H,17,18)
InChIKeyWVALANAAJUJHOC-UHFFFAOYSA-N
MW276.20 g/mol
LogP1.74
Rot. Bonds2

About 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid

2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid (PubChem CID 175239170) has the molecular formula C12H8N2O6 and a molecular weight of 276.20 g/mol. Its IUPAC name is 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid.

Molecular Properties

Compound Name2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid
PubChem CID175239170
Molecular FormulaC12H8N2O6
Molecular Weight276.20 g/mol
Exact Mass276.04
IUPAC Name2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid
SMILESNc1oc2cc3c(C(=O)O)c(N)oc3cc2c1C(=O)O
InChIInChI=1S/C12H8N2O6/c13-9-7(11(15)16)3-1-5-4(2-6(3)20-9)8(12(17)18)10(14)19-5/h1-2H,13-14H2,(H,15,16)(H,17,18)
InChIKeyWVALANAAJUJHOC-UHFFFAOYSA-N
XLogP1.74
TPSA152.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid?
The IUPAC name of 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid (CID 175239170) is 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid.
What is the SMILES notation for 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid?
The canonical SMILES for 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid is Nc1oc2cc3c(C(=O)O)c(N)oc3cc2c1C(=O)O.
What is the InChIKey of 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid?
The InChIKey is WVALANAAJUJHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O6/c13-9-7(11(15)16)3-1-5-4(2-6(3)20-9)8(12(17)18)10(14)19-5/h1-2H,13-14H2,(H,15,16)(H,17,18).
What are the key properties of 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid?
2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid has a molecular weight of 276.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminofuro[2,3-f][1]benzofuran-3,7-dicarboxylic acid is sourced from PubChem (CID 175239170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).