5-Chloroimidazo[1,2-a]pyridine hydrochloride

Introduction

CAS No. :	3931-68-8	MDL No. :	MFCD13659350
Formula :	C7H6Cl2N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HDGYDQGPMRUIQO-UHFFFAOYSA-N
M.W :	189.04	Pubchem ID :	21994174
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.17
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) :	-4.95 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	3.52
Log Po/w (WLOGP) :	2.79
Log Po/w (MLOGP) :	1.63
Log Po/w (SILICOS-IT) :	1.63
Consensus Log Po/w :	1.91

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.84
Solubility :	0.0276 mg/ml ; 0.000146 mol/l
Class :	Soluble
Log S (Ali) :	-3.57
Solubility :	0.0512 mg/ml ; 0.000271 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.68
Solubility :	0.391 mg/ml ; 0.00207 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.67

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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