2-Chloro-6-hydrazinopyridine

Introduction

CAS No. :	5193-03-3	MDL No. :	MFCD00214724
Formula :	C5H6ClN3	Boiling Point :	-
Linear Structure Formula :	C5H3NCl(NHNH2)	InChI Key :	HFTSPKIAXHZROA-UHFFFAOYSA-N
M.W :	143.57	Pubchem ID :	320004
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	36.45
TPSA :	50.94 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) :	-6.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.91
Log Po/w (XLOGP3) :	1.38
Log Po/w (WLOGP) :	0.83
Log Po/w (MLOGP) :	0.74
Log Po/w (SILICOS-IT) :	0.57
Consensus Log Po/w :	0.88

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.03
Solubility :	1.35 mg/ml ; 0.0094 mol/l
Class :	Soluble
Log S (Ali) :	-2.05
Solubility :	1.27 mg/ml ; 0.00885 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.31
Solubility :	0.705 mg/ml ; 0.00491 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.98

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P264-P270-P280-P301+P310+P330-P305+P351+P338+P310-P405-P501	UN#:	2811
Hazard Statements:	H301-H318	Packing Group:	Ⅲ
GHS Pictogram:

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