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CAS 1227515-26-5 3-Chloro-6-iodo-2-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1227515-26-5

3-Chloro-6-iodo-2-(trifluoromethyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025984
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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 1227515-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1227515-26-5 / 3-chloro-6-iodo-2-(trifluoromethyl)pyridine

Standard CAS: 1227515-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227515-26-5
Multi CAS
No
Molecular Formula
C6H2ClF3IN
Molecular Weight
307.440000
Exact Mass
306.887260
SMILES
C1=CC(=NC(=C1Cl)C(F)(F)F)I
InChI
InChI=1S/C6H2ClF3IN/c7-3-1-2-4(11)12-5(3)6(8,9)10/h1-2H
InChIKey
CMACHVOWNWTIMB-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
3.1
Consensus LogP
3.14
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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