5-(3-Fluorophenyl)pyridin-3-amine

Introduction

CAS No. :	1214384-10-7	MDL No. :	MFCD14698774
Formula :	C11H9FN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WYOPIWDOHILQSM-UHFFFAOYSA-N
M.W :	188.20	Pubchem ID :	46311887
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	54.04
TPSA :	38.91 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.63
Log Po/w (XLOGP3) :	1.9
Log Po/w (WLOGP) :	2.9
Log Po/w (MLOGP) :	1.88
Log Po/w (SILICOS-IT) :	2.68
Consensus Log Po/w :	2.2

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.77
Solubility :	0.318 mg/ml ; 0.00169 mol/l
Class :	Soluble
Log S (Ali) :	-2.34
Solubility :	0.86 mg/ml ; 0.00457 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.46
Solubility :	0.00647 mg/ml ; 0.0000344 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.84

Signal Word:	Warning	Class:
Precautionary Statements:	P280	UN#:
Hazard Statements:	H302-H312-H332	Packing Group:
GHS Pictogram:

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