2H-indole-3,5-dicarboxylic acid

C10H7NO4 — CID 172751437

IUPAC2H-indole-3,5-dicarboxylic acid
SMILESO=C(O)C1=c2cc(C(=O)O)ccc2=NC1
InChIInChI=1S/C10H7NO4/c12-9(13)5-1-2-8-6(3-5)7(4-11-8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyKKUSKDNZHGWKGE-UHFFFAOYSA-N
MW205.17 g/mol
LogP-0.75
Rot. Bonds2

About 2H-indole-3,5-dicarboxylic acid

2H-indole-3,5-dicarboxylic acid (PubChem CID 172751437) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2H-indole-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2H-indole-3,5-dicarboxylic acid
PubChem CID172751437
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2H-indole-3,5-dicarboxylic acid
SMILESO=C(O)C1=c2cc(C(=O)O)ccc2=NC1
InChIInChI=1S/C10H7NO4/c12-9(13)5-1-2-8-6(3-5)7(4-11-8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKeyKKUSKDNZHGWKGE-UHFFFAOYSA-N
XLogP-0.75
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-indole-3,5-dicarboxylic acid?
The IUPAC name of 2H-indole-3,5-dicarboxylic acid (CID 172751437) is 2H-indole-3,5-dicarboxylic acid.
What is the SMILES notation for 2H-indole-3,5-dicarboxylic acid?
The canonical SMILES for 2H-indole-3,5-dicarboxylic acid is O=C(O)C1=c2cc(C(=O)O)ccc2=NC1.
What is the InChIKey of 2H-indole-3,5-dicarboxylic acid?
The InChIKey is KKUSKDNZHGWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9(13)5-1-2-8-6(3-5)7(4-11-8)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15).
What are the key properties of 2H-indole-3,5-dicarboxylic acid?
2H-indole-3,5-dicarboxylic acid has a molecular weight of 205.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indole-3,5-dicarboxylic acid is sourced from PubChem (CID 172751437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).