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CAS 106967-42-4 2,6-Bis(bromomethyl)-4-bromopyridine molecular structure lightbox
CAS RN: 106967-42-4

2,6-Bis(bromomethyl)-4-bromopyridine

  • Product code: SSC-008438
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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 106967-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

106967-42-4 / 4-bromo-2,6-bis(bromomethyl)pyridine

4-bromo-2,6-bis(bromomethyl)pyridine | DTXSID60349068 | pyridine, 4-bromo-2,6-bis(bromomethyl)-

Standard CAS: 106967-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106967-42-4
Multi CAS
No
Molecular Formula
C7H6Br3N
Molecular Weight
343.840000
Exact Mass
342.802990
SMILES
C1=C(C=C(N=C1CBr)CBr)Br
InChI
InChI=1S/C7H6Br3N/c8-3-6-1-5(10)2-7(4-9)11-6/h1-2H,3-4H2
InChIKey
RKMBLYCYGXVKRO-UHFFFAOYSA-N
Synonyms
4-bromo-2,6-bis(bromomethyl)pyridine DTXSID60349068 pyridine, 4-bromo-2,6-bis(bromomethyl)- RefChem:98030 DTXCID70300140

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
57.2
TPSA
12.89

LogP / Solubility

WLOGP
3.63
MLOGP
3.22
XLogP3
2.7
Consensus LogP
3.18
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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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