2-Amino-6-methoxypyridine

Introduction

CAS No. :	17920-35-3	MDL No. :	MFCD04972542
Formula :	C6H8N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DEUALFRBMNMGDS-UHFFFAOYSA-N
M.W :	124.14	Pubchem ID :	580053
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.13
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) :	-5.89 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.5
Log Po/w (XLOGP3) :	1.65
Log Po/w (WLOGP) :	0.68
Log Po/w (MLOGP) :	0.33
Log Po/w (SILICOS-IT) :	0.64
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) :	-2.08
Solubility :	1.04 mg/ml ; 0.00838 mol/l
Class :	Soluble
Log S (Ali) :	-2.27
Solubility :	0.66 mg/ml ; 0.00532 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.75
Solubility :	2.21 mg/ml ; 0.0178 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.76

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H302-H319	Packing Group:
GHS Pictogram:

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