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CAS 1000018-58-5 2-Chloro-3,5-dibromo-6-methylpyridine molecular structure lightbox
CAS RN: 1000018-58-5

2-Chloro-3,5-dibromo-6-methylpyridine

  • Product code: SSC-000049
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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, 5g, 10g
  • 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 1000018-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

1000018-58-5 / 3,5-dibromo-2-chloro-6-methylpyridine

3,5-Dibromo-2-chloro-6-methylpyridine | 1000018-58-5 | 2-Chloro-3,5-dibromo-6-methylpyridine

Standard CAS: 1000018-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000018-58-5
Multi CAS
No
Molecular Formula
C6H4Br2ClN
Molecular Weight
285.360000
Exact Mass
284.837850
SMILES
CC1=NC(=C(C=C1Br)Br)Cl
InChI
InChI=1S/C6H4Br2ClN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
InChIKey
AYZAQZJMQIXSLF-UHFFFAOYSA-N
Synonyms
3,5-Dibromo-2-chloro-6-methylpyridine 1000018-58-5 2-Chloro-3,5-dibromo-6-methylpyridine MFCD09702430 Pyridine, 3,5-dibromo-2-chloro-6-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
49.38
TPSA
12.89

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.6
Consensus LogP
3.44
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.93

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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