5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

C10H7F3N2O2 — CID 82386002

IUPAC5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-5(14)1-4-2-7(9(16)17)15-8(4)6/h1-3,15H,14H2,(H,16,17)
InChIKeyGPBXEJDZDXIKBV-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.47
Rot. Bonds1

About 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid (PubChem CID 82386002) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
PubChem CID82386002
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-5(14)1-4-2-7(9(16)17)15-8(4)6/h1-3,15H,14H2,(H,16,17)
InChIKeyGPBXEJDZDXIKBV-UHFFFAOYSA-N
XLogP2.47
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid (CID 82386002) is 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid is Nc1cc(C(F)(F)F)c2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
The InChIKey is GPBXEJDZDXIKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)6-3-5(14)1-4-2-7(9(16)17)15-8(4)6/h1-3,15H,14H2,(H,16,17).
What are the key properties of 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid?
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid has a molecular weight of 244.17 g/mol, XLogP of 2.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82386002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).