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CAS 1227579-03-4 2-Bromo-3-iodo-6-methyl-pyridine molecular structure lightbox
CAS RN: 1227579-03-4

2-Bromo-3-iodo-6-methyl-pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026075
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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 1227579-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1227579-03-4 / 2-bromo-3-iodo-6-methylpyridine

Standard CAS: 1227579-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227579-03-4
Multi CAS
No
Molecular Formula
C6H5BrIN
Molecular Weight
297.920000
Exact Mass
296.865010
SMILES
CC1=NC(=C(C=C1)I)Br
InChI
InChI=1S/C6H5BrIN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
InChIKey
YAXSYUOPMUUMMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
49.39
TPSA
12.89

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.58

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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