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

C8H5F3N2O — CID 118826300

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 Name2-(trifluoromethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118826300
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name2-(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
XLogP2.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).