2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine

Name: 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₅F₃N₂O — CID 118826300

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine

SMILESFC(F)(F)Oc1cc2cccnc2[nH]1

InChIInChI=1S/C8H5F3N2O/c9-8(10,11)14-6-4-5-2-1-3-12-7(5)13-6/h1-4H,(H,12,13)

InChIKeyXQADKKQSBOLPDC-UHFFFAOYSA-N

MW202.14 g/mol

LogP2.46

Rot. Bonds1

About 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine

2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118826300) has the molecular formula C₈H₅F₃N₂O and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name	2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID	118826300
Molecular Formula	C₈H₅F₃N₂O
Molecular Weight	202.14 g/mol
Exact Mass	202.04
IUPAC Name	2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILES	FC(F)(F)Oc1cc2cccnc2[nH]1
InChI	InChI=1S/C8H5F3N2O/c9-8(10,11)14-6-4-5-2-1-3-12-7(5)13-6/h1-4H,(H,12,13)
InChIKey	XQADKKQSBOLPDC-UHFFFAOYSA-N
XLogP	2.46
TPSA	37.91 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.14
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine (CID 118826300) is 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)Oc1cc2cccnc2[nH]1.

What is the InChIKey of 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is XQADKKQSBOLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)14-6-4-5-2-1-3-12-7(5)13-6/h1-4H,(H,12,13).

What are the key properties of 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine?

2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118826300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118826300 — identifiers, structure, computed properties (public domain)

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