2-[N,N-Bis(Trifluoromethylsulphonyl)amino]-5-chloropyridine

Name: 2-[N,N-Bis(Trifluoromethylsulphonyl)amino]-5-chloropyridine
SKU: PI145100512
Rating: 5 (1 reviews)

Cat. No.: PI145100512

Product Details Other Identifiers Computed Properties

CAS	145100-51-2
Purity	98%
Molecular Formula	C7H3ClF6N2O4S2
Molecular Weight	392.68
Molar Refractivity	61.76

Pubchem ID	388544
InChI Key	TUFGVZMNGTYAQD-UHFFFAOYSA-N
MDL Number	MFCD00191833

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.52
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	1.0
Fraction Csp3	0.29
Ghose	None
GI Absorption	Low
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	11.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.6 cm/s
Log Po/w (iLOGP)	1.97
Log Po/w (MLOGP)	-0.09
Log Po/w (SILICOS-IT)	0.86
Log Po/w (WLOGP)	6.92
Log Po/w (XLOGP3)	2.95
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	2.67
Topological Polar Surface Area	101.17 Å²
Veber	0.0

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