2-(Imidazo[1,2-a]pyridin-3-yl)acetic acid hydrochloride

Introduction

CAS No. :	127657-46-9	MDL No. :	MFCD26967961
Formula :	C9H9ClN2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SGNOGHAGXLAOHG-UHFFFAOYSA-N
M.W :	212.64	Pubchem ID :	67780432
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.11
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	53.7
TPSA :	54.6 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.06
Log Po/w (WLOGP) :	1.76
Log Po/w (MLOGP) :	0.67
Log Po/w (SILICOS-IT) :	0.61
Consensus Log Po/w :	1.02

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.8
Solubility :	0.337 mg/ml ; 0.00159 mol/l
Class :	Soluble
Log S (Ali) :	-2.84
Solubility :	0.311 mg/ml ; 0.00146 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.86
Solubility :	2.93 mg/ml ; 0.0138 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

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

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