247069-27-8|2,6-Diamino-3,5-difluoropyridine

Introduction

CAS No. :	247069-27-8	MDL No. :	MFCD03412208
Formula :	C5H5F2N3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GCIUCMRUMOAHKR-UHFFFAOYSA-N
M.W :	145.11	Pubchem ID :	10176199
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	32.96
TPSA :	64.93 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) :	-6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.03
Log Po/w (XLOGP3) :	0.36
Log Po/w (WLOGP) :	1.38
Log Po/w (MLOGP) :	0.87
Log Po/w (SILICOS-IT) :	0.84
Consensus Log Po/w :	0.9

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.41
Solubility :	5.64 mg/ml ; 0.0389 mol/l
Class :	Very soluble
Log S (Ali) :	-1.29
Solubility :	7.47 mg/ml ; 0.0515 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.84
Solubility :	2.08 mg/ml ; 0.0144 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.82

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

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