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

C10H12ClF3N2O — CID 171808320

IUPAC1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13;/h14H,3-4H2,1-2H3;1H
InChIKeyXCWZIMGMPYGYEK-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.74
Rot. Bonds

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

1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 171808320) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID171808320
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2.Cl
InChIInChI=1S/C10H11F3N2O.ClH/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13;/h14H,3-4H2,1-2H3;1H
InChIKeyXCWZIMGMPYGYEK-UHFFFAOYSA-N
XLogP1.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 171808320) is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cc1c2c(n(C)c(=O)c1C(F)(F)F)CNC2.Cl.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is XCWZIMGMPYGYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O.ClH/c1-5-6-3-14-4-7(6)15(2)9(16)8(5)10(11,12)13;/h14H,3-4H2,1-2H3;1H.
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
1,4-dimethyl-3-(trifluoromethyl)-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, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 171808320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).