3,6-Difluoropyrazine-2-carbonitrile

Cat. No.: PI356783283

Product Details Other Identifiers Computed Properties

CAS	356783-28-3
Purity	95%
Molecular Formula	C5HF2N3
Molecular Weight	141.08
Molar Refractivity	26.66

Pubchem ID	22662829
InChI Key	ONECIHYIQJRNTP-UHFFFAOYSA-N
MDL Number	MFCD22199270

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	0
Topological Polar Surface Area	49.57 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.01
Log Po/w (XLOGP3)	0.7
Log Po/w (WLOGP)	1.47
Log Po/w (MLOGP)	-0.57
Log Po/w (SILICOS-IT)	1.75
Consensus Log Po/w	0.87
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.66 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	2.18

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