1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

C10H9F3N2O — CID 126758741

IUPAC1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cc(C(F)(F)F)cnc2C1
InChIInChI=1S/C10H9F3N2O/c1-6(16)15-4-7-2-8(10(11,12)13)3-14-9(7)5-15/h2-3H,4-5H2,1H3
InChIKeyODSRTNODDUEAFD-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.96
Rot. Bonds

About 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (PubChem CID 126758741) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
PubChem CID126758741
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cc(C(F)(F)F)cnc2C1
InChIInChI=1S/C10H9F3N2O/c1-6(16)15-4-7-2-8(10(11,12)13)3-14-9(7)5-15/h2-3H,4-5H2,1H3
InChIKeyODSRTNODDUEAFD-UHFFFAOYSA-N
XLogP1.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The IUPAC name of 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (CID 126758741) is 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is CC(=O)N1Cc2cc(C(F)(F)F)cnc2C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The InChIKey is ODSRTNODDUEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6(16)15-4-7-2-8(10(11,12)13)3-14-9(7)5-15/h2-3H,4-5H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone has a molecular weight of 230.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 126758741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).