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CAS 518057-64-2 6-CHLORO-2-IODO-3-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 518057-64-2

6-CHLORO-2-IODO-3-(TRIFLUOROMETHYL)PYRIDINE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250405 250mg In stock Inquiry
Batchno.20250617 50mg In stock Inquiry
  • Product code: SSC-158818
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 518057-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

518057-64-2 / 6-chloro-2-iodo-3-(trifluoromethyl)pyridine

Standard CAS: 518057-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
518057-64-2
Multi CAS
No
Molecular Formula
C6H2CLF3IN
Molecular Weight
307.440000
Exact Mass
306.887260
InChI
InChI=1S/C6H2ClF3IN/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H
InChIKey
DPAHBNHHPOZWCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
46.97
TPSA
12.89

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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