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CAS 1682-79-7 3-Chloro-2,4,6-trifluoro pyridine molecular structure lightbox
CAS RN: 1682-79-7

3-Chloro-2,4,6-trifluoro pyridine

  • Product code: SSC-073330
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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 1682-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1682-79-7 / 3-chloro-2,4,6-trifluoropyridine

Standard CAS: 1682-79-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1682-79-7
Multi CAS
No
Molecular Formula
C5HClF3N
Molecular Weight
167.510000
Exact Mass
166.974961
SMILES
C1=C(C(=C(N=C1F)F)Cl)F
InChI
InChI=1S/C5HClF3N/c6-4-2(7)1-3(8)10-5(4)9/h1H
InChIKey
UZJXVKPEYNNWKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
29.12
TPSA
12.89

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.4
Consensus LogP
2.15
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.21

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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