3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one

Name: 3-Fluoro-4-(trifluoromethyl)pyridin-2(1H)-one
SKU: PI1227594899
Rating: 5 (1 reviews)

Cat. No.: PI1227594899

Product Details Other Identifiers Computed Properties

CAS	1227594-89-9
Purity	97%
Molecular Formula	C6H3F4NO
Molecular Weight	181.09
Molar Refractivity	32.02

Pubchem ID	53435090
InChI Key	CUVQCPUTFJFSFU-UHFFFAOYSA-N
MDL Number	MFCD26405803

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.01
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.17
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.73 cm/s
Log Po/w (iLOGP)	1.23
Log Po/w (MLOGP)	1.81
Log Po/w (SILICOS-IT)	2.97
Log Po/w (WLOGP)	3.11
Log Po/w (XLOGP3)	0.95
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.8
Topological Polar Surface Area	32.86 Å²
Veber	0.0

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