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

C10H10ClF3N2O — CID 171808296

IUPAC3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(CC(F)(F)F)c(=O)c1Cl)CNC2
InChIInChI=1S/C10H10ClF3N2O/c1-5-6-2-15-3-7(6)16(4-10(12,13)14)9(17)8(5)11/h15H,2-4H2,1H3
InChIKeyAHYFTPKXSLQXOX-UHFFFAOYSA-N
MW266.65 g/mol
LogP1.98
Rot. Bonds1

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

3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808296) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
PubChem CID171808296
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
SMILESCc1c2c(n(CC(F)(F)F)c(=O)c1Cl)CNC2
InChIInChI=1S/C10H10ClF3N2O/c1-5-6-2-15-3-7(6)16(4-10(12,13)14)9(17)8(5)11/h15H,2-4H2,1H3
InChIKeyAHYFTPKXSLQXOX-UHFFFAOYSA-N
XLogP1.98
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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;hydrochloride
CID 171808574
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
3-chloro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808187
3-chloro-1,4-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808188
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
CID 171808197
1,3,4-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one
CID 171808198

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one (CID 171808296) is 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is Cc1c2c(n(CC(F)(F)F)c(=O)c1Cl)CNC2.
What is the InChIKey of 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
The InChIKey is AHYFTPKXSLQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-5-6-2-15-3-7(6)16(4-10(12,13)14)9(17)8(5)11/h15H,2-4H2,1H3.
What are the key properties of 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one?
3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one has a molecular weight of 266.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).