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CAS 1000340-01-1 3,5-Dibromo-2-fluoro-4-methylpyridine molecular structure lightbox
CAS RN: 1000340-01-1

3,5-Dibromo-2-fluoro-4-methylpyridine

  • Product code: SSC-000091
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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 1000340-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1000340-01-1 / 3,5-dibromo-2-fluoro-4-methylpyridine

1000340-01-1 | 3,5-dibromo-2-fluoro-4-methylpyridine | 2-fluoro-3,5-dibromo-4-methylpyridine

Standard CAS: 1000340-01-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000340-01-1
Multi CAS
Yes
Molecular Formula
C6H4Br2FN
Molecular Weight
268.910000
Exact Mass
268.867400
SMILES
CC1=C(C(=NC=C1Br)F)Br
InChI
InChI=1S/C6H4Br2FN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
InChIKey
LAOILGACTMFPSZ-UHFFFAOYSA-N
Synonyms
1000340-01-1 3,5-dibromo-2-fluoro-4-methylpyridine 2-fluoro-3,5-dibromo-4-methylpyridine 3,5-dibromo-2-fluoro-4-picoline pyridine, 3,5-dibromo-2-fluoro-4-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
44.33
TPSA
12.89

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.19

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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