5-Bromo-2-chloropyrimidine

Cat. No.: PI32779365

Product Details Other Identifiers Computed Properties

CAS	32779-36-5
Purity	98%
Molecular Formula	C4H2BrClN2
Molecular Weight	193.43
Molar Refractivity	34.74

Pubchem ID	606665
InChI Key	XPGIBDJXEVAVTO-UHFFFAOYSA-N
MDL Number	MFCD00483232

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	0
Topological Polar Surface Area	25.78 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	1.81
Log Po/w (XLOGP3)	1.85
Log Po/w (WLOGP)	1.89
Log Po/w (MLOGP)	0.99
Log Po/w (SILICOS-IT)	2.38
Consensus Log Po/w	1.78
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.17 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	1.58

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