2-Amino-6-(trifluoromethyl)pyridine

Introduction

CAS No. :	34486-24-3	MDL No. :	MFCD03093868
Formula :	C6H5F3N2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NFYYDQMFURPHCC-UHFFFAOYSA-N
M.W :	162.11	Pubchem ID :	821024
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.17
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	33.64
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) :	-6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.23
Log Po/w (XLOGP3) :	1.42
Log Po/w (WLOGP) :	2.84
Log Po/w (MLOGP) :	1.33
Log Po/w (SILICOS-IT) :	1.66
Consensus Log Po/w :	1.7

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 :	1.36 mg/ml ; 0.00837 mol/l
Class :	Soluble
Log S (Ali) :	-1.84
Solubility :	2.33 mg/ml ; 0.0144 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.54
Solubility :	0.465 mg/ml ; 0.00287 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.46

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P264-P280-P301+P310-P305+P351+P338	UN#:	2811
Hazard Statements:	H300-H315-H317-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine