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CAS 14712-32-4 4-Hydroxy-2-(2-pyridyl)pyridine molecular structure lightbox
CAS RN: 14712-32-4

4-Hydroxy-2-(2-pyridyl)pyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS14712-32-4
  • Purity/Analytical Methods: >99.0%
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14712-32-4 / 2-pyridin-2-yl-1H-pyridin-4-one

Standard CAS: 14712-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14712-32-4
Multi CAS
No
Molecular Formula
C10H8N2O
Molecular Weight
172.180000
Exact Mass
172.063663
SMILES
C1=CC=NC(=C1)C2=CC(=O)C=CN2
InChI
InChI=1S/C10H8N2O/c13-8-4-6-12-10(7-8)9-3-1-2-5-11-9/h1-7H,(H,12,13)
InChIKey
PIQHJUNSCZAHAS-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
50.29
TPSA
45.75

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.7
Consensus LogP
1.13
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

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)
-2.75

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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