1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol

C15H13F3N2O — CID 107682586

IUPAC1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14-6-2-10(8-19-14)20-13-5-1-9-7-11(21)3-4-12(9)13/h2-4,6-8,13,20-21H,1,5H2
InChIKeyKEJDOGJQZKDZKK-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.91
Rot. Bonds2

About 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol

1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682586) 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-5-ol.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107682586
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)14-6-2-10(8-19-14)20-13-5-1-9-7-11(21)3-4-12(9)13/h2-4,6-8,13,20-21H,1,5H2
InChIKeyKEJDOGJQZKDZKK-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

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Related Compounds

1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682026
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 82794380
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107588220
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
1-[(1-propan-2-ylpyrazol-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682342

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol (CID 107682586) is 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is KEJDOGJQZKDZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)14-6-2-10(8-19-14)20-13-5-1-9-7-11(21)3-4-12(9)13/h2-4,6-8,13,20-21H,1,5H2.
What are the key properties of 1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol?
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-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-5-ol is sourced from PubChem (CID 107682586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).