4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine

C9H6BrF3N2O — CID 137405597

IUPAC4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)COc1cc(Br)c2cc[nH]c2n1
InChIInChI=1S/C9H6BrF3N2O/c10-6-3-7(16-4-9(11,12)13)15-8-5(6)1-2-14-8/h1-3H,4H2,(H,14,15)
InChIKeyZFWWTWJWKQOFLW-UHFFFAOYSA-N
MW295.06 g/mol
LogP3.27
Rot. Bonds2

About 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine

4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137405597) has the molecular formula C9H6BrF3N2O and a molecular weight of 295.06 g/mol. Its IUPAC name is 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine
PubChem CID137405597
Molecular FormulaC9H6BrF3N2O
Molecular Weight295.06 g/mol
Exact Mass293.96
IUPAC Name4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)COc1cc(Br)c2cc[nH]c2n1
InChIInChI=1S/C9H6BrF3N2O/c10-6-3-7(16-4-9(11,12)13)15-8-5(6)1-2-14-8/h1-3H,4H2,(H,14,15)
InChIKeyZFWWTWJWKQOFLW-UHFFFAOYSA-N
XLogP3.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine (CID 137405597) is 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine is FC(F)(F)COc1cc(Br)c2cc[nH]c2n1.
What is the InChIKey of 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZFWWTWJWKQOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2O/c10-6-3-7(16-4-9(11,12)13)15-8-5(6)1-2-14-8/h1-3H,4H2,(H,14,15).
What are the key properties of 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine?
4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 295.06 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137405597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).