1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine

C13H11F3N2 — CID 167313236

IUPAC1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)C12CC(n3ccc4ncccc43)(C1)C2
InChIInChI=1S/C13H11F3N2/c14-13(15,16)11-6-12(7-11,8-11)18-5-3-9-10(18)2-1-4-17-9/h1-5H,6-8H2
InChIKeyQKEXBTRKUSKPJI-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.48
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine

1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine (PubChem CID 167313236) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine
PubChem CID167313236
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine
SMILESFC(F)(F)C12CC(n3ccc4ncccc43)(C1)C2
InChIInChI=1S/C13H11F3N2/c14-13(15,16)11-6-12(7-11,8-11)18-5-3-9-10(18)2-1-4-17-9/h1-5H,6-8H2
InChIKeyQKEXBTRKUSKPJI-UHFFFAOYSA-N
XLogP3.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine (CID 167313236) is 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine is FC(F)(F)C12CC(n3ccc4ncccc43)(C1)C2.
What is the InChIKey of 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine?
The InChIKey is QKEXBTRKUSKPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)11-6-12(7-11,8-11)18-5-3-9-10(18)2-1-4-17-9/h1-5H,6-8H2.
What are the key properties of 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine?
1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine has a molecular weight of 252.24 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 167313236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).