5-amino-1H-indole-6-carboxylic acid

C9H8N2O2 — CID 117273186

IUPAC5-amino-1H-indole-6-carboxylic acid
SMILESNc1cc2cc[nH]c2cc1C(=O)O
InChIInChI=1S/C9H8N2O2/c10-7-3-5-1-2-11-8(5)4-6(7)9(12)13/h1-4,11H,10H2,(H,12,13)
InChIKeyIZGLAHMCZDTFTM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.45
Rot. Bonds1

About 5-amino-1H-indole-6-carboxylic acid

5-amino-1H-indole-6-carboxylic acid (PubChem CID 117273186) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-amino-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name5-amino-1H-indole-6-carboxylic acid
PubChem CID117273186
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-amino-1H-indole-6-carboxylic acid
SMILESNc1cc2cc[nH]c2cc1C(=O)O
InChIInChI=1S/C9H8N2O2/c10-7-3-5-1-2-11-8(5)4-6(7)9(12)13/h1-4,11H,10H2,(H,12,13)
InChIKeyIZGLAHMCZDTFTM-UHFFFAOYSA-N
XLogP1.45
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1H-indol-6-yl)prop-2-enamide
CID 176897956
ethane;1H-indole-6-carboxylic acid
CID 142472960
1-(6-methyl-1H-indol-5-yl)ethanone
CID 58835531
1H-indol-6-yl hydrogen carbonate
CID 57316242
5-(1H-indol-5-yl)pyridazine-4-carboxylic acid
CID 82388436
5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82388064
2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
CID 63110093
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
carbamic acid;1H-indole
CID 66672708
5-(1H-indol-5-yl)-2,3,4-trimethoxybenzoic acid
CID 155912985
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183
[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
CID 57245491

Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-indole-6-carboxylic acid?
The IUPAC name of 5-amino-1H-indole-6-carboxylic acid (CID 117273186) is 5-amino-1H-indole-6-carboxylic acid.
What is the SMILES notation for 5-amino-1H-indole-6-carboxylic acid?
The canonical SMILES for 5-amino-1H-indole-6-carboxylic acid is Nc1cc2cc[nH]c2cc1C(=O)O.
What is the InChIKey of 5-amino-1H-indole-6-carboxylic acid?
The InChIKey is IZGLAHMCZDTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-3-5-1-2-11-8(5)4-6(7)9(12)13/h1-4,11H,10H2,(H,12,13).
What are the key properties of 5-amino-1H-indole-6-carboxylic acid?
5-amino-1H-indole-6-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-indole-6-carboxylic acid is sourced from PubChem (CID 117273186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).