3-(Trifluoromethyl)pyridin-2-ol

Cat. No.: PI22245836

Product Details Other Identifiers Computed Properties

CAS	22245-83-6
Purity	97%
Molecular Formula	C6H4F3NO
Molecular Weight	163.10
Molar Refractivity	31.26

Pubchem ID	3678411
InChI Key	JHDCDEHVUADNKQ-UHFFFAOYSA-N
MDL Number	MFCD00153194

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	1
Topological Polar Surface Area	33.12 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.17
Log Po/w (iLOGP)	1.06
Log Po/w (XLOGP3)	1.71
Log Po/w (WLOGP)	2.96
Log Po/w (MLOGP)	1.33
Log Po/w (SILICOS-IT)	1.89
Consensus Log Po/w	1.79
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.08 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.58

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