1H-indole-2,3,4-tricarboxylic acid

C11H7NO6 — CID 150336310

IUPAC1H-indole-2,3,4-tricarboxylic acid
SMILESO=C(O)c1[nH]c2cccc(C(=O)O)c2c1C(=O)O
InChIInChI=1S/C11H7NO6/c13-9(14)4-2-1-3-5-6(4)7(10(15)16)8(12-5)11(17)18/h1-3,12H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyGQSYRNVRHSQNDM-UHFFFAOYSA-N
MW249.18 g/mol
LogP1.26
Rot. Bonds3

About 1H-indole-2,3,4-tricarboxylic acid

1H-indole-2,3,4-tricarboxylic acid (PubChem CID 150336310) has the molecular formula C11H7NO6 and a molecular weight of 249.18 g/mol. Its IUPAC name is 1H-indole-2,3,4-tricarboxylic acid.

Molecular Properties

Compound Name1H-indole-2,3,4-tricarboxylic acid
PubChem CID150336310
Molecular FormulaC11H7NO6
Molecular Weight249.18 g/mol
Exact Mass249.03
IUPAC Name1H-indole-2,3,4-tricarboxylic acid
SMILESO=C(O)c1[nH]c2cccc(C(=O)O)c2c1C(=O)O
InChIInChI=1S/C11H7NO6/c13-9(14)4-2-1-3-5-6(4)7(10(15)16)8(12-5)11(17)18/h1-3,12H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyGQSYRNVRHSQNDM-UHFFFAOYSA-N
XLogP1.26
TPSA127.69 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-propyl-1H-indole-4-carboxylic acid
CID 83964335
3-amino-4-bromo-1H-indole-2-carboxylic acid
CID 84804837
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 57358889
3-amino-1H-indole-4-carboxylic acid
CID 83481883
1H-indazole-3,4-dicarboxylic acid
CID 24728738
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
3-fluoro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 151410207
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760

Frequently Asked Questions

What is the IUPAC name of 1H-indole-2,3,4-tricarboxylic acid?
The IUPAC name of 1H-indole-2,3,4-tricarboxylic acid (CID 150336310) is 1H-indole-2,3,4-tricarboxylic acid.
What is the SMILES notation for 1H-indole-2,3,4-tricarboxylic acid?
The canonical SMILES for 1H-indole-2,3,4-tricarboxylic acid is O=C(O)c1[nH]c2cccc(C(=O)O)c2c1C(=O)O.
What is the InChIKey of 1H-indole-2,3,4-tricarboxylic acid?
The InChIKey is GQSYRNVRHSQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO6/c13-9(14)4-2-1-3-5-6(4)7(10(15)16)8(12-5)11(17)18/h1-3,12H,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 1H-indole-2,3,4-tricarboxylic acid?
1H-indole-2,3,4-tricarboxylic acid has a molecular weight of 249.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2,3,4-tricarboxylic acid is sourced from PubChem (CID 150336310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).