2,6-Difluoropyridin-3-ol

Introduction

CAS No. :	209328-85-8	MDL No. :	MFCD11044351
Formula :	C5H3F2NO	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HTLONLFPRJFFNV-UHFFFAOYSA-N
M.W :	131.08	Pubchem ID :	22451540
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	26.18
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) :	-6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.26
Log Po/w (XLOGP3) :	1.36
Log Po/w (WLOGP) :	1.91
Log Po/w (MLOGP) :	0.67
Log Po/w (SILICOS-IT) :	1.79
Consensus Log Po/w :	1.4

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.0
Solubility :	1.3 mg/ml ; 0.00994 mol/l
Class :	Soluble
Log S (Ali) :	-1.66
Solubility :	2.88 mg/ml ; 0.022 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.97
Solubility :	1.4 mg/ml ; 0.0107 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.65

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

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