3-Bromo-6-fluoropyrazolo[1,5-a]pyridine

Introduction

CAS No. :	1352625-30-9	MDL No. :	MFCD27996891
Formula :	C7H4BrFN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	UZRGAYLDHCBIHZ-UHFFFAOYSA-N
M.W :	215.02	Pubchem ID :	67123693
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	42.85
TPSA :	17.3 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.3 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.11
Log Po/w (XLOGP3) :	1.85
Log Po/w (WLOGP) :	2.66
Log Po/w (MLOGP) :	2.58
Log Po/w (SILICOS-IT) :	2.04
Consensus Log Po/w :	2.25

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.94
Solubility :	0.245 mg/ml ; 0.00114 mol/l
Class :	Soluble
Log S (Ali) :	-1.83
Solubility :	3.15 mg/ml ; 0.0146 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.22
Solubility :	0.128 mg/ml ; 0.000597 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.73

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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