5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

C15H13F5N2O2 — CID 162383375

IUPAC5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESCOc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccn1
InChIInChI=1S/C15H13F5N2O2/c1-24-11-6-8(3-5-21-11)22-7-9(15(18,19)20)12-10(22)2-4-14(16,17)13(12)23/h3,5-7,13,23H,2,4H2,1H3
InChIKeyAMOAUBZHJNPOFX-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.51
Rot. Bonds2

About 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol

5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (PubChem CID 162383375) has the molecular formula C15H13F5N2O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
PubChem CID162383375
Molecular FormulaC15H13F5N2O2
Molecular Weight348.27 g/mol
Exact Mass348.09
IUPAC Name5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol
SMILESCOc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccn1
InChIInChI=1S/C15H13F5N2O2/c1-24-11-6-8(3-5-21-11)22-7-9(15(18,19)20)12-10(22)2-4-14(16,17)13(12)23/h3,5-7,13,23H,2,4H2,1H3
InChIKeyAMOAUBZHJNPOFX-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The IUPAC name of 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol (CID 162383375) is 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is COc1cc(-n2cc(C(F)(F)F)c3c2CCC(F)(F)C3O)ccn1.
What is the InChIKey of 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
The InChIKey is AMOAUBZHJNPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O2/c1-24-11-6-8(3-5-21-11)22-7-9(15(18,19)20)12-10(22)2-4-14(16,17)13(12)23/h3,5-7,13,23H,2,4H2,1H3.
What are the key properties of 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol?
5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol has a molecular weight of 348.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 162383375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).