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CAS 1211537-20-0 5-BroMo-4-chloro-2-(trifluoroMethyl)pyridine molecular structure lightbox
CAS RN: 1211537-20-0

5-BroMo-4-chloro-2-(trifluoroMethyl)pyridine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 100mg In stock Shanghai Inquiry
Batchno.20260108 1g In stock Shanghai Inquiry
Batchno.20260213 250mg In stock Shanghai Inquiry
  • Product code: SSC-022709
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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 1211537-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1211537-20-0 / 5-bromo-4-chloro-2-(trifluoromethyl)pyridine

5-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)PYRIDINE | MFCD18257603 | SCHEMBL26608262

Standard CAS: 1211537-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211537-20-0
Multi CAS
No
Molecular Formula
C6H2BrClF3N
Molecular Weight
260.440000
Exact Mass
258.901120
SMILES
C1=C(C(=CN=C1C(F)(F)F)Br)Cl
InChI
InChI=1S/C6H2BrClF3N/c7-3-2-12-5(1-4(3)8)6(9,10)11/h1-2H
InChIKey
SWQDICUZSAFQSM-UHFFFAOYSA-N
Synonyms
5-BROMO-4-CHLORO-2-(TRIFLUOROMETHYL)PYRIDINE MFCD18257603 SCHEMBL26608262 SCHEMBL30593162 AB74975

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
41.95
TPSA
12.89

LogP / Solubility

WLOGP
3.52
MLOGP
3.1
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.81

Drug-likeness / Medicinal Chemistry

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

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