2-Fluoropyridin-3-amine

Introduction

CAS No. :	1597-33-7	MDL No. :	MFCD03095248
Formula :	C5H5FN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QVDACIZNNNFTBO-UHFFFAOYSA-N
M.W :	112.11	Pubchem ID :	2762816
Synonyms :		Chemical Name :	2-Fluoropyridin-3-amine

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	28.6
TPSA :	38.91 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) :	-6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.01
Log Po/w (XLOGP3) :	0.6
Log Po/w (WLOGP) :	1.23
Log Po/w (MLOGP) :	0.21
Log Po/w (SILICOS-IT) :	1.15
Consensus Log Po/w :	0.84

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.47
Solubility :	3.82 mg/ml ; 0.034 mol/l
Class :	Very soluble
Log S (Ali) :	-0.99
Solubility :	11.4 mg/ml ; 0.102 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.89
Solubility :	1.46 mg/ml ; 0.013 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.56

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

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