3-Fluoro-2-hydrazinylpyridine

Introduction

CAS No. :	887266-57-1	MDL No. :	MFCD09998071
Formula :	C5H6FN3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HXRVAPHVNZCFJM-UHFFFAOYSA-N
M.W :	127.12	Pubchem ID :	26985286
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	31.4
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) :	-6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.66
Log Po/w (XLOGP3) :	0.52
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	0.55
Log Po/w (SILICOS-IT) :	0.35
Consensus Log Po/w :	0.56

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.38
Solubility :	5.26 mg/ml ; 0.0414 mol/l
Class :	Very soluble
Log S (Ali) :	-1.16
Solubility :	8.78 mg/ml ; 0.0691 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.96
Solubility :	1.41 mg/ml ; 0.0111 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.91

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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