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CAS 2097800-63-8 5-Bromo-2-(3-fluoro-3-pentyl)pyridine molecular structure lightbox
CAS RN: 2097800-63-8

5-Bromo-2-(3-fluoro-3-pentyl)pyridine

  • Product code: SSC-099603
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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, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 2097800-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry

2097800-63-8 / 5-bromo-2-(3-fluoropentan-3-yl)pyridine

Standard CAS: 2097800-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097800-63-8
Multi CAS
No
Molecular Formula
C10H13BrFN
Molecular Weight
246.120000
Exact Mass
245.021540
SMILES
CCC(CC)(C1=NC=C(C=C1)Br)F
InChI
InChI=1S/C10H13BrFN/c1-3-10(12,4-2)9-6-5-8(11)7-13-9/h5-7H,3-4H2,1-2H3
InChIKey
WMLFBVZYYZXOIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
55.31
TPSA
12.89

LogP / Solubility

WLOGP
3.83
MLOGP
3.37
XLogP3
3.4
Consensus LogP
3.53
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

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

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