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CAS 114468-04-1 3-BroMo-5-(difluoroMethyl)pyridine molecular structure lightbox
CAS RN: 114468-04-1

3-BroMo-5-(difluoroMethyl)pyridine

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 1g In stock Inquiry
Batchno.20250911 250mg In stock Inquiry
Batchno.20250120 500mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-014250
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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 114468-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

114468-04-1 / 3-bromo-5-(difluoromethyl)pyridine

3-bromo-5-(difluoromethyl)pyridine | pyridine, 3-bromo-5-(difluoromethyl)- | RefChem:93188

Standard CAS: 114468-04-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114468-04-1
Multi CAS
No
Molecular Formula
C6H4BrF2N
Molecular Weight
208.000000
Exact Mass
206.949520
SMILES
C1=C(C=NC=C1Br)C(F)F
InChI
InChI=1S/C6H4BrF2N/c7-5-1-4(6(8)9)2-10-3-5/h1-3,6H
InChIKey
YEIYXHOMHKPBGQ-UHFFFAOYSA-N
Synonyms
3-bromo-5-(difluoromethyl)pyridine pyridine, 3-bromo-5-(difluoromethyl)- RefChem:93188 689-416-7 InChI=1/C6H4BrF2N/c7-5-1-4(6(8)9)2-10-3-5/h1-3,6

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.89
TPSA
12.89

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.2
Consensus LogP
2.48
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.01

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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