3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C18H11F3N2O2 — CID 10315448

IUPAC3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)25-14-3-1-11(2-4-14)13-7-15-16(12-5-6-24-10-12)9-23-17(15)22-8-13/h1-10H,(H,22,23)
InChIKeyUJYWDYLEFRRWGD-UHFFFAOYSA-N
MW344.29 g/mol
LogP5.39
Rot. Bonds3

About 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10315448) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID10315448
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)25-14-3-1-11(2-4-14)13-7-15-16(12-5-6-24-10-12)9-23-17(15)22-8-13/h1-10H,(H,22,23)
InChIKeyUJYWDYLEFRRWGD-UHFFFAOYSA-N
XLogP5.39
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 10315448) is 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UJYWDYLEFRRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-18(20,21)25-14-3-1-11(2-4-14)13-7-15-16(12-5-6-24-10-12)9-23-17(15)22-8-13/h1-10H,(H,22,23).
What are the key properties of 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 344.29 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10315448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).