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CAS 221313-10-6 METHYL6-(TRIFLUOROMETHYL)NICOTINATE molecular structure lightbox
CAS RN: 221313-10-6

METHYL6-(TRIFLUOROMETHYL)NICOTINATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260624 100g In stock Inquiry
Batchno.20250309 1g In stock Inquiry
Batchno.20250213 250mg In stock Inquiry
Batchno.20250903 25g In stock Inquiry
Batchno.20250807 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260511 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai 8-10 business days Inquiry
  • Product code: SSC-106497
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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, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 221313-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

221313-10-6 / methyl 6-(trifluoromethyl)pyridine-3-carboxylate

Standard CAS: 221313-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221313-10-6
Multi CAS
No
Molecular Formula
C8H6F3NO2
Molecular Weight
205.130000
Exact Mass
205.035063
SMILES
COC(=O)C1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3
InChIKey
NEATXKNYTRXHQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.58
TPSA
39.19

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.63

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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