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CAS 1247348-33-9 4,5-dibromo-2-methylpyridine molecular structure lightbox
CAS RN: 1247348-33-9

4,5-dibromo-2-methylpyridine

  • Product code: SSC-028883
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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: 0.25g
  • 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 1247348-33-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry

1247348-33-9 / 4,5-dibromo-2-methylpyridine

Standard CAS: 1247348-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247348-33-9
Multi CAS
No
Molecular Formula
C6H5Br2N
Molecular Weight
250.920000
Exact Mass
250.876820
SMILES
CC1=CC(=C(C=N1)Br)Br
InChI
InChI=1S/C6H5Br2N/c1-4-2-5(7)6(8)3-9-4/h2-3H,1H3
InChIKey
NTIZIFMLQKHABD-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
44.37
TPSA
12.89

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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