5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine

C9H6BrF3N2 — CID 118508217

IUPAC5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Cn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H6BrF3N2/c10-7-3-6-1-2-15(5-9(11,12)13)8(6)14-4-7/h1-4H,5H2
InChIKeySXHFSGZTXHVZJP-UHFFFAOYSA-N
MW279.06 g/mol
LogP3.36
Rot. Bonds1

About 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine

5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine (PubChem CID 118508217) has the molecular formula C9H6BrF3N2 and a molecular weight of 279.06 g/mol. Its IUPAC name is 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
PubChem CID118508217
Molecular FormulaC9H6BrF3N2
Molecular Weight279.06 g/mol
Exact Mass277.97
IUPAC Name5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)Cn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H6BrF3N2/c10-7-3-6-1-2-15(5-9(11,12)13)8(6)14-4-7/h1-4H,5H2
InChIKeySXHFSGZTXHVZJP-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine (CID 118508217) is 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine is FC(F)(F)Cn1ccc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is SXHFSGZTXHVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2/c10-7-3-6-1-2-15(5-9(11,12)13)8(6)14-4-7/h1-4H,5H2.
What are the key properties of 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine?
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 279.06 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118508217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).