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CAS 39065-47-9 2-CYANO-6-PHENYLPYRIDINE molecular structure lightbox
CAS RN: 39065-47-9

2-CYANO-6-PHENYLPYRIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39065-47-9
  • Purity/Analytical Methods: >99.0%
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39065-47-9 / 6-phenylpyridine-2-carbonitrile

Standard CAS: 39065-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39065-47-9
Multi CAS
No
Molecular Formula
C12H8N2
Molecular Weight
180.200000
Exact Mass
180.068748
InChI
InChI=1S/C12H8N2/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-8H
InChIKey
BDNQAFNZYVRBAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.39
TPSA
36.68

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.96

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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