4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

C10H12ClF3N2O — CID 171808574

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1cc(=O)n(CC(F)(F)F)c2c1CNC2.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8;/h2,14H,3-5H2,1H3;1H
InChIKeyWAOQJBUSEXTESL-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 171808574) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID171808574
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1cc(=O)n(CC(F)(F)F)c2c1CNC2.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8;/h2,14H,3-5H2,1H3;1H
InChIKeyWAOQJBUSEXTESL-UHFFFAOYSA-N
XLogP1.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride with MolForge

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Related Compounds

6-(2,2,2-trifluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553317
6-(2,2-difluoroacetyl)-5,7-dihydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 153553363
(5R)-3-fluoro-1,4,5-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808277
3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808296
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808298
3-fluoro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808299
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808320
3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808479
1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808547
4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808575
1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808648
1-[2-(Propylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
CID 55170709

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 171808574) is 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cc1cc(=O)n(CC(F)(F)F)c2c1CNC2.Cl.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is WAOQJBUSEXTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.ClH/c1-6-2-9(16)15(5-10(11,12)13)8-4-14-3-7(6)8;/h2,14H,3-5H2,1H3;1H.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride has a molecular weight of 268.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 171808574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).