2-Methylimidazo[1,2-a]pyridine-7-carboxylic acid hydrochloride

Introduction

CAS No. :	1365964-78-8	MDL No. :	MFCD27959604
Formula :	C9H9ClN2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UWFOHHGBFBQASR-UHFFFAOYSA-N
M.W :	212.63	Pubchem ID :	56832393
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.11
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	54.08
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) :	-5.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.49
Log Po/w (WLOGP) :	2.14
Log Po/w (MLOGP) :	0.94
Log Po/w (SILICOS-IT) :	0.74
Consensus Log Po/w :	1.26

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.14
Solubility :	0.155 mg/ml ; 0.00073 mol/l
Class :	Soluble
Log S (Ali) :	-3.28
Solubility :	0.111 mg/ml ; 0.000523 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.84
Solubility :	3.05 mg/ml ; 0.0143 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.68

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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