CAS RN: 66131-77-9
3-HYDROXY-6-PHENYLPYRIDINE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS66131-77-9
- Purity/Analytical Methods: >99.0%
66131-77-9 / 6-phenylpyridin-3-ol
Basic Information
CAS
66131-77-9
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
InChI
InChI=1S/C11H9NO/c13-10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-8,13H
InChIKey
UAUCJEGMDDNGCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
33.12
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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