5-Hydrazinyl-2-methoxypyridine dihydrochloride

Introduction

CAS No. :	524699-82-9	MDL No. :	MFCD26954811
Formula :	C6H11Cl2N3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZIECLGRHPYVVST-UHFFFAOYSA-N
M.W :	212.08	Pubchem ID :	22341572
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	51.87
TPSA :	60.17 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) :	-5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.56
Log Po/w (WLOGP) :	1.79
Log Po/w (MLOGP) :	0.57
Log Po/w (SILICOS-IT) :	-0.15
Consensus Log Po/w :	0.96

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.01
Solubility :	0.209 mg/ml ; 0.000987 mol/l
Class :	Soluble
Log S (Ali) :	-3.47
Solubility :	0.0716 mg/ml ; 0.000338 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.82
Solubility :	3.23 mg/ml ; 0.0152 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.19

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

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