3-Fluoro-5-methoxypyridin-2-amine

Introduction

CAS No. :	1211589-70-6	MDL No. :	MFCD16606158
Formula :	C6H7FN2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XDOHJTASOZCWFE-UHFFFAOYSA-N
M.W :	142.13	Pubchem ID :	58316998
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.09
TPSA :	48.14 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) :	-6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.53
Log Po/w (XLOGP3) :	0.58
Log Po/w (WLOGP) :	1.24
Log Po/w (MLOGP) :	0.37
Log Po/w (SILICOS-IT) :	1.06
Consensus Log Po/w :	0.96

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.46
Solubility :	4.88 mg/ml ; 0.0343 mol/l
Class :	Very soluble
Log S (Ali) :	-1.16
Solubility :	9.74 mg/ml ; 0.0685 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.05
Solubility :	1.28 mg/ml ; 0.00897 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

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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