2-Chloro-5-fluoropyridin-3-ol

Introduction

CAS No. :	884494-35-3	MDL No. :	MFCD03095268
Formula :	C5H3ClFNO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QGIBCEFTNKAIAZ-UHFFFAOYSA-N
M.W :	147.54	Pubchem ID :	24229205
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	31.23
TPSA :	33.12 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) :	-6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.21
Log Po/w (XLOGP3) :	1.56
Log Po/w (WLOGP) :	2.0
Log Po/w (MLOGP) :	0.85
Log Po/w (SILICOS-IT) :	2.01
Consensus Log Po/w :	1.53

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.23
Solubility :	0.867 mg/ml ; 0.00588 mol/l
Class :	Soluble
Log S (Ali) :	-1.87
Solubility :	2.01 mg/ml ; 0.0136 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.32
Solubility :	0.7 mg/ml ; 0.00474 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.7

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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