1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol

C15H13F3N2O — CID 82794380

IUPAC1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14-7-4-9(8-19-14)20-12-6-5-11-10(12)2-1-3-13(11)21/h1-4,7-8,12,20-21H,5-6H2
InChIKeyWEXQCZVCEHRGBK-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.91
Rot. Bonds2

About 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol

1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82794380) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82794380
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14-7-4-9(8-19-14)20-12-6-5-11-10(12)2-1-3-13(11)21/h1-4,7-8,12,20-21H,5-6H2
InChIKeyWEXQCZVCEHRGBK-UHFFFAOYSA-N
XLogP3.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol 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 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 82794380) is 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is WEXQCZVCEHRGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)14-7-4-9(8-19-14)20-12-6-5-11-10(12)2-1-3-13(11)21/h1-4,7-8,12,20-21H,5-6H2.
What are the key properties of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 294.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82794380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).