6-(Trifluoromethyl)picolinic acid

Cat. No.: PI131747427

Product Details Other Identifiers Computed Properties

CAS	131747-42-7
Purity	98%
Molecular Formula	C7H4F3NO2
Molecular Weight	191.11
Molar Refractivity	36.2

Pubchem ID	14761453
InChI Key	OKBHXGBLXDNJJD-UHFFFAOYSA-N
MDL Number	MFCD02180819

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	2
Topological Polar Surface Area	50.19 Å²
Heavy Atom Count	13
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.14
Log Po/w (iLOGP)	1.01
Log Po/w (XLOGP3)	1.63
Log Po/w (WLOGP)	2.95
Log Po/w (MLOGP)	-0.02
Log Po/w (SILICOS-IT)	1.77
Consensus Log Po/w	1.47
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.31 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.44

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