3-Methoxypyridine

Introduction

CAS No. :	7295-76-3	MDL No. :	MFCD00673022
Formula :	C6H7NO	Boiling Point :	No data available
Linear Structure Formula :	CH3O(C5H4N)	InChI Key :	UMJSCPRVCHMLSP-UHFFFAOYSA-N
M.W :	109.13	Pubchem ID :	23719
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	30.73
TPSA :	22.12 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) :	-6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.56
Log Po/w (XLOGP3) :	0.99
Log Po/w (WLOGP) :	1.09
Log Po/w (MLOGP) :	0.13
Log Po/w (SILICOS-IT) :	1.4
Consensus Log Po/w :	1.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.63
Solubility :	2.56 mg/ml ; 0.0235 mol/l
Class :	Very soluble
Log S (Ali) :	-1.04
Solubility :	9.88 mg/ml ; 0.0906 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.09
Solubility :	0.891 mg/ml ; 0.00817 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.38

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H227-H315-H319-H335	Packing Group:
GHS Pictogram:

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