5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile

C10H7FN2 — CID 87130438

IUPAC5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile
SMILES[2H]C([2H])([2H])c1cc2[nH]cc(C#N)c2cc1F
InChIInChI=1S/C10H7FN2/c1-6-2-10-8(3-9(6)11)7(4-12)5-13-10/h2-3,5,13H,1H3/i1D3
InChIKeyVZVMZIFHBNMUGA-FIBGUPNXSA-N
MW177.20 g/mol
LogP2.49
Rot. Bonds1

About 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile

5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile (PubChem CID 87130438) has the molecular formula C10H7FN2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile
PubChem CID87130438
Molecular FormulaC10H7FN2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile
SMILES[2H]C([2H])([2H])c1cc2[nH]cc(C#N)c2cc1F
InChIInChI=1S/C10H7FN2/c1-6-2-10-8(3-9(6)11)7(4-12)5-13-10/h2-3,5,13H,1H3/i1D3
InChIKeyVZVMZIFHBNMUGA-FIBGUPNXSA-N
XLogP2.49
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile?
The IUPAC name of 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile (CID 87130438) is 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile is [2H]C([2H])([2H])c1cc2[nH]cc(C#N)c2cc1F.
What is the InChIKey of 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile?
The InChIKey is VZVMZIFHBNMUGA-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H7FN2/c1-6-2-10-8(3-9(6)11)7(4-12)5-13-10/h2-3,5,13H,1H3/i1D3.
What are the key properties of 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile?
5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile has a molecular weight of 177.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(trideuteriomethyl)-1H-indole-3-carbonitrile is sourced from PubChem (CID 87130438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).