CAS RN: 66600-05-3

2-CHLORO-5-PHENYLPYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS66600-05-3
  • Purity/Analytical Methods: >99.0%
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66600-05-3 / 2-chloro-5-phenylpyridine

Standard CAS: 66600-05-3 Multi CAS: No

Basic Information

CAS
66600-05-3
Multi CAS
No
Molecular Formula
C11H8CLN
Molecular Weight
189.640000
Exact Mass
189.034527
InChI
InChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChIKey
GPTCNPDHDYHZER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.68
TPSA
12.89

LogP / Solubility

WLOGP
3.4
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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