3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid

C17H12N2O3 — CID 59364245

IUPAC3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3c[nH]c4ccc(O)cc34)c[nH]c2c1
InChIInChI=1S/C17H12N2O3/c20-10-2-4-15-12(6-10)14(8-18-15)13-7-19-16-5-9(17(21)22)1-3-11(13)16/h1-8,18-20H,(H,21,22)
InChIKeyBQTZDZAZUQKLKE-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.72
Rot. Bonds2

About 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid

3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid (PubChem CID 59364245) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
PubChem CID59364245
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3c[nH]c4ccc(O)cc34)c[nH]c2c1
InChIInChI=1S/C17H12N2O3/c20-10-2-4-15-12(6-10)14(8-18-15)13-7-19-16-5-9(17(21)22)1-3-11(13)16/h1-8,18-20H,(H,21,22)
InChIKeyBQTZDZAZUQKLKE-UHFFFAOYSA-N
XLogP3.72
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
3-(3-fluorophenyl)-1H-indole-6-carboxylic acid
CID 59625885
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
CID 89275643
3-(3-methylphenyl)-1H-indole-5-carboxylic acid
CID 171776998
5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
CID 82386599
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
CID 167767166
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
3-[3-(2-hydroxyethyl)phenyl]-1H-indole-5-carboxylic acid
CID 167871614
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid?
The IUPAC name of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid (CID 59364245) is 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid is O=C(O)c1ccc2c(-c3c[nH]c4ccc(O)cc34)c[nH]c2c1.
What is the InChIKey of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid?
The InChIKey is BQTZDZAZUQKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-10-2-4-15-12(6-10)14(8-18-15)13-7-19-16-5-9(17(21)22)1-3-11(13)16/h1-8,18-20H,(H,21,22).
What are the key properties of 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid?
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 59364245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).