1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C11H9F3N2O — CID 175138644

IUPAC1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1c2c(c(C(F)(F)F)c(C#N)c1=O)CCC2
InChIInChI=1S/C11H9F3N2O/c1-16-8-4-2-3-6(8)9(11(12,13)14)7(5-15)10(16)17/h2-4H2,1H3
InChIKeyMUJBFZBEVRSYLR-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.76
Rot. Bonds

About 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 175138644) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID175138644
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCn1c2c(c(C(F)(F)F)c(C#N)c1=O)CCC2
InChIInChI=1S/C11H9F3N2O/c1-16-8-4-2-3-6(8)9(11(12,13)14)7(5-15)10(16)17/h2-4H2,1H3
InChIKeyMUJBFZBEVRSYLR-UHFFFAOYSA-N
XLogP1.76
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyano-6,7-dihydro-4-trifluoromethyl-1,5H-cyclopenta-[b]-pyrid-2-one
CID 2760282
1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 59284174
1,3-Dimethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 59284268
1-Methyl-3-(trifluoromethyl)-6,7-dihydro-1H-cyclopenta[b]pyridine-2(5H)-one
CID 71737381
3-iodo-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146566764
1-Methyl-4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 146566983
3-ethyl-1-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146614315
1-methyl-3-propan-2-yl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 146615380
1,3-dimethyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one;ethane
CID 153576873
4-(difluoromethyl)-1-methyl-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 164772434
3,3,3-trifluoro-2-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]propanenitrile
CID 113807737
1-methyl-2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CID 15256416

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 175138644) is 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cn1c2c(c(C(F)(F)F)c(C#N)c1=O)CCC2.
What is the InChIKey of 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is MUJBFZBEVRSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-8-4-2-3-6(8)9(11(12,13)14)7(5-15)10(16)17/h2-4H2,1H3.
What are the key properties of 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 242.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 175138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).