2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium

C12H8F3N2+ — CID 174794836

IUPAC2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
SMILESFC(F)(F)c1ccc2ccc3[nH+]ccc3c2[nH]1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H/p+1
InChIKeyUTAJMBXXFWNYIJ-UHFFFAOYSA-O
MW237.20 g/mol
LogP3.15
Rot. Bonds

About 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium

2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium (PubChem CID 174794836) has the molecular formula C12H8F3N2+ and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
PubChem CID174794836
Molecular FormulaC12H8F3N2+
Molecular Weight237.20 g/mol
Exact Mass237.06
IUPAC Name2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
SMILESFC(F)(F)c1ccc2ccc3[nH+]ccc3c2[nH]1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H/p+1
InChIKeyUTAJMBXXFWNYIJ-UHFFFAOYSA-O
XLogP3.15
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium 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 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium?
The IUPAC name of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium (CID 174794836) is 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium is FC(F)(F)c1ccc2ccc3[nH+]ccc3c2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium?
The InChIKey is UTAJMBXXFWNYIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)10-4-2-7-1-3-9-8(5-6-16-9)11(7)17-10/h1-6,17H/p+1.
What are the key properties of 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium?
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium has a molecular weight of 237.20 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium is sourced from PubChem (CID 174794836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).