ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C11H11F3N2O2 — CID 143689602

IUPACethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC.O=C(c1c[nH]c2c(=O)[nH]ccc12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16;1-2/h1-3,14H,(H,13,16);1-2H3
InChIKeyPWLGIBUSIUOISO-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.63
Rot. Bonds1

About ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 143689602) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Nameethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID143689602
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Nameethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCC.O=C(c1c[nH]c2c(=O)[nH]ccc12)C(F)(F)F
InChIInChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16;1-2/h1-3,14H,(H,13,16);1-2H3
InChIKeyPWLGIBUSIUOISO-UHFFFAOYSA-N
XLogP2.63
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 143689602) is ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is CC.O=C(c1c[nH]c2c(=O)[nH]ccc12)C(F)(F)F.
What is the InChIKey of ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is PWLGIBUSIUOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7(15)5-3-14-6-4(5)1-2-13-8(6)16;1-2/h1-3,14H,(H,13,16);1-2H3.
What are the key properties of ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 260.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2,2,2-trifluoroacetyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 143689602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).