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

C10H6F3N3O — CID 84702442

IUPAC4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(OCC(F)(F)F)c12
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,5H2,(H,15,16)
InChIKeyDVHASXDRUGPOKK-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.38
Rot. Bonds2

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

4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 84702442) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID84702442
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(OCC(F)(F)F)c12
InChIInChI=1S/C10H6F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,5H2,(H,15,16)
InChIKeyDVHASXDRUGPOKK-UHFFFAOYSA-N
XLogP2.38
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 84702442) is 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nccc(OCC(F)(F)F)c12.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is DVHASXDRUGPOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-10(12,13)5-17-7-1-2-15-9-8(7)6(3-14)4-16-9/h1-2,4H,5H2,(H,15,16).
What are the key properties of 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 241.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 84702442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).