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

C15H13F3N2O — CID 71865389

IUPAC(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-6-3-7-19-14(11)20-13-10-5-2-1-4-9(10)8-12(13)21/h1-7,12-13,21H,8H2,(H,19,20)/t12-,13+/m0/s1
InChIKeyFNOLMIUHUOYHNC-QWHCGFSZSA-N
MW294.28 g/mol
LogP3.17
Rot. Bonds2

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

(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 71865389) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID71865389
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ncccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-6-3-7-19-14(11)20-13-10-5-2-1-4-9(10)8-12(13)21/h1-7,12-13,21H,8H2,(H,19,20)/t12-,13+/m0/s1
InChIKeyFNOLMIUHUOYHNC-QWHCGFSZSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 71865389) is (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1Nc1ncccc1C(F)(F)F.
What is the InChIKey of (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FNOLMIUHUOYHNC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)11-6-3-7-19-14(11)20-13-10-5-2-1-4-9(10)8-12(13)21/h1-7,12-13,21H,8H2,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 294.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71865389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).