5-Bromo-6-iodopyridin-2-amine

Introduction

CAS No. :	1223748-35-3	MDL No. :	MFCD14708215
Formula :	C5H4BrIN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	BGQPGYLGRNLJKR-UHFFFAOYSA-N
M.W :	298.91	Pubchem ID :	46835710
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	49.06
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) :	-6.79 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.73
Log Po/w (XLOGP3) :	1.88
Log Po/w (WLOGP) :	2.04
Log Po/w (MLOGP) :	1.92
Log Po/w (SILICOS-IT) :	2.35
Consensus Log Po/w :	1.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.37
Solubility :	0.127 mg/ml ; 0.000426 mol/l
Class :	Soluble
Log S (Ali) :	-2.32
Solubility :	1.43 mg/ml ; 0.0048 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.46
Solubility :	0.104 mg/ml ; 0.000348 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.48

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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