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CAS 205240-63-7 2-Trifluoromethyl-6-chloro-5-pyridineboric acid molecular structure lightbox
CAS RN: 205240-63-7

2-Trifluoromethyl-6-chloro-5-pyridineboric acid

  • Product code: SSC-096551
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 205240-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

205240-63-7 / [2-chloro-6-(trifluoromethyl)-3-pyridinyl]boronic acid

Standard CAS: 205240-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205240-63-7
Multi CAS
No
Molecular Formula
C6H4BClF3NO2
Molecular Weight
225.360000
Exact Mass
224.997571
SMILES
B(C1=C(N=C(C=C1)C(F)(F)F)Cl)(O)O
InChI
InChI=1S/C6H4BClF3NO2/c8-5-3(7(13)14)1-2-4(12-5)6(9,10)11/h1-2,13-14H
InChIKey
MFBLIMAUCMIBMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.07
TPSA
53.35

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
0.43
Consensus LogP
0.41
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-3.79

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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