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CAS 2091683-62-2 2-Bromo-5-(2-fluoro-2-propyl)pyridine molecular structure lightbox
CAS RN: 2091683-62-2

2-Bromo-5-(2-fluoro-2-propyl)pyridine

  • Product code: SSC-098796
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2091683-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

2091683-62-2 / 2-bromo-5-(2-fluoropropan-2-yl)pyridine

Standard CAS: 2091683-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2091683-62-2
Multi CAS
No
Molecular Formula
C8H9BrFN
Molecular Weight
218.070000
Exact Mass
216.990240
SMILES
CC(C)(C1=CN=C(C=C1)Br)F
InChI
InChI=1S/C8H9BrFN/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,1-2H3
InChIKey
UZPBLOISCJTAIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.07
TPSA
12.89

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.89

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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