6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline

C17H10F3N3O — CID 135146068

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)24-14-8-11(7-10-3-1-5-21-15(10)14)13-9-23-16-12(13)4-2-6-22-16/h1-9H,(H,22,23)
InChIKeyZAMSTFCALPVSOC-UHFFFAOYSA-N
MW329.28 g/mol
LogP4.68
Rot. Bonds2

About 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline

6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline (PubChem CID 135146068) has the molecular formula C17H10F3N3O and a molecular weight of 329.28 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline
PubChem CID135146068
Molecular FormulaC17H10F3N3O
Molecular Weight329.28 g/mol
Exact Mass329.08
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(-c2c[nH]c3ncccc23)cc2cccnc12
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)24-14-8-11(7-10-3-1-5-21-15(10)14)13-9-23-16-12(13)4-2-6-22-16/h1-9H,(H,22,23)
InChIKeyZAMSTFCALPVSOC-UHFFFAOYSA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline (CID 135146068) is 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline is FC(F)(F)Oc1cc(-c2c[nH]c3ncccc23)cc2cccnc12.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline?
The InChIKey is ZAMSTFCALPVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O/c18-17(19,20)24-14-8-11(7-10-3-1-5-21-15(10)14)13-9-23-16-12(13)4-2-6-22-16/h1-9H,(H,22,23).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline?
6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline has a molecular weight of 329.28 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-8-(trifluoromethoxy)quinoline is sourced from PubChem (CID 135146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).