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CAS 1332392-76-3 5-Bromo-2-chloro-3-(difluoromethyl)pyridine molecular structure lightbox
CAS RN: 1332392-76-3

5-Bromo-2-chloro-3-(difluoromethyl)pyridine

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100mg In stock Shanghai Inquiry
Batchno.20251220 1g Out of stock Inquiry
Batchno.20250723 250mg In stock Shanghai Inquiry
  • Product code: SSC-039910
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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: ＞97%
  • 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 1332392-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1332392-76-3 / 5-bromo-2-chloro-3-(difluoromethyl)pyridine

Standard CAS: 1332392-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1332392-76-3
Multi CAS
No
Molecular Formula
C6H3BrClF2N
Molecular Weight
242.450000
Exact Mass
240.910550
SMILES
C1=C(C=NC(=C1C(F)F)Cl)Br
InChI
InChI=1S/C6H3BrClF2N/c7-3-1-4(6(9)10)5(8)11-2-3/h1-2,6H
InChIKey
SENZWWWZWMAPAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.9
TPSA
12.89

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-1.76

Drug-likeness / Medicinal Chemistry

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

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