1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone

C11H9F3N2O — CID 2768415

IUPAC1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
SMILESCCn1cc(C(=O)C(F)(F)F)c2cccnc21
InChIInChI=1S/C11H9F3N2O/c1-2-16-6-8(9(17)11(12,13)14)7-4-3-5-15-10(7)16/h3-6H,2H2,1H3
InChIKeyKOQZTNKQWSIZBX-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.80
Rot. Bonds2

About 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone

1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone (PubChem CID 2768415) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
PubChem CID2768415
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
SMILESCCn1cc(C(=O)C(F)(F)F)c2cccnc21
InChIInChI=1S/C11H9F3N2O/c1-2-16-6-8(9(17)11(12,13)14)7-4-3-5-15-10(7)16/h3-6H,2H2,1H3
InChIKeyKOQZTNKQWSIZBX-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone (CID 2768415) is 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone is CCn1cc(C(=O)C(F)(F)F)c2cccnc21.
What is the InChIKey of 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is KOQZTNKQWSIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-16-6-8(9(17)11(12,13)14)7-4-3-5-15-10(7)16/h3-6H,2H2,1H3.
What are the key properties of 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone?
1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 242.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2768415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).