4-Amino-3-iodopyridine

Introduction

CAS No. :	88511-27-7	MDL No. :	MFCD02663853
Formula :	C5H5IN2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZGOCEDVVZKFHSY-UHFFFAOYSA-N
M.W :	220.01	Pubchem ID :	1516510
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
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 :	41.36
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) :	-7.06 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.24
Log Po/w (XLOGP3) :	0.82
Log Po/w (WLOGP) :	1.28
Log Po/w (MLOGP) :	0.75
Log Po/w (SILICOS-IT) :	1.69
Consensus Log Po/w :	1.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.28
Solubility :	1.17 mg/ml ; 0.0053 mol/l
Class :	Soluble
Log S (Ali) :	-1.22
Solubility :	13.3 mg/ml ; 0.0604 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.62
Solubility :	0.524 mg/ml ; 0.00238 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.97

Signal Word:	Danger	Class:
Precautionary Statements:	P280-P301+P312+P330-P302+P352-P305+P351+P338+P310	UN#:
Hazard Statements:	H302-H315-H318-H335	Packing Group:
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