Pyridine-2,5-dicarbaldehyde

Introduction

CAS No. :	6221-01-8	MDL No. :	MFCD13175969
Formula :	C7H5NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GVWYIGSUECJNRM-UHFFFAOYSA-N
M.W :	135.12	Pubchem ID :	12181319
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	35.01
TPSA :	47.03 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) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.39
Log Po/w (XLOGP3) :	0.11
Log Po/w (WLOGP) :	0.71
Log Po/w (MLOGP) :	-0.84
Log Po/w (SILICOS-IT) :	1.64
Consensus Log Po/w :	0.4

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.06
Solubility :	11.8 mg/ml ; 0.0873 mol/l
Class :	Very soluble
Log S (Ali) :	-0.65
Solubility :	30.0 mg/ml ; 0.222 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.89
Solubility :	1.74 mg/ml ; 0.0129 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.13

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

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