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CAS 1221172-02-6 6-chloro-2-(trifluoroMethoxy)-3-(triMethylsilyl)pyridine molecular structure lightbox
CAS RN: 1221172-02-6

6-chloro-2-(trifluoroMethoxy)-3-(triMethylsilyl)pyridine

  • Product code: SSC-025050
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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: 1g, 0.25g, 0.1g, 5g
  • 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 1221172-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1221172-02-6 / [6-chloro-2-(trifluoromethoxy)-3-pyridinyl]-trimethylsilane

Standard CAS: 1221172-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221172-02-6
Multi CAS
No
Molecular Formula
C9H11ClF3NOSi
Molecular Weight
269.720000
Exact Mass
269.025053
SMILES
C[Si](C)(C)C1=C(N=C(C=C1)Cl)OC(F)(F)F
InChI
InChI=1S/C9H11ClF3NOSi/c1-16(2,3)6-4-5-7(10)14-8(6)15-9(11,12)13/h4-5H,1-3H3
InChIKey
PGNOZXVLSUNTDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.91
TPSA
22.12

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.18
Consensus LogP
3.06
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-2.11

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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