5-(3-Fluorophenyl)-2-methylpyridine

Cat. No.: PI713143670

Product Details Other Identifiers Computed Properties

CAS	713143-67-0
Purity	97%
Molecular Formula	C12H10FN
Molecular Weight	187.21
Molar Refractivity	54.6

Pubchem ID	46313070
InChI Key	RLNYZKWSFIPXRO-UHFFFAOYSA-N
MDL Number	MFCD13152238

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	1
Topological Polar Surface Area	12.89 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.36
Log Po/w (XLOGP3)	2.98
Log Po/w (WLOGP)	3.62
Log Po/w (MLOGP)	2.82
Log Po/w (SILICOS-IT)	3.9
Consensus Log Po/w	3.13
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.33 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.94

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