8JW

3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one

Created:	2017-02-09
Last modified:	2018-02-28

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1 entries where 8JW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of 8JW

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Chemical Component Summary
Name	3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
Systematic Name (OpenEye OEToolkits)	3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
Formula	C₆ H₅ F₃ N₂ O
Molecular Weight	178.112
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC1=CC(=CNC1=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	C1=C(C(=O)NC=C1C(F)(F)F)N
Canonical SMILES	CACTVS	3.385	NC1=CC(=CNC1=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1=C(C(=O)NC=C1C(F)(F)F)N
InChI	InChI	1.03	InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey	InChI	1.03	UKJVAYOQXPDMHO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2315787

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