2-Chloro-4-pyridinecarbohydrazide

Introduction

CAS No. :	58481-04-2	MDL No. :	MFCD00221428
Formula :	C6H6ClN3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MZIIYNBBSHJOLD-UHFFFAOYSA-N
M.W :	171.58	Pubchem ID :	236206
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	40.14
TPSA :	68.01 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.95
Log Po/w (XLOGP3) :	0.11
Log Po/w (WLOGP) :	0.34
Log Po/w (MLOGP) :	0.15
Log Po/w (SILICOS-IT) :	0.38
Consensus Log Po/w :	0.39

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.24
Solubility :	9.77 mg/ml ; 0.0569 mol/l
Class :	Very soluble
Log S (Ali) :	-1.09
Solubility :	13.8 mg/ml ; 0.0806 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.28
Solubility :	0.907 mg/ml ; 0.00528 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.64

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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