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CAS 124236-37-9 5-Trifluoromethyl-pyridine-2-carboxylic acidmethyl ester molecular structure lightbox
CAS RN: 124236-37-9

5-Trifluoromethyl-pyridine-2-carboxylic acidmethyl ester

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 100g In stock Shanghai Inquiry
Batchno.20260301 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250112 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260509 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260501 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260416 500g In stock Shanghai Inquiry
Batchno.20260528 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-028134
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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, 100g, 25g, 500g, 1000g
  • Available purity: ≥97%
  • 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 124236-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Shenzhen Inquiry
100g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 3 In Stock Shenzhen Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry
1000g ≥97% 0 Out of Stock Hong Kong Inquiry

124236-37-9 / methyl 5-(trifluoromethyl)pyridine-2-carboxylate

Standard CAS: 124236-37-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
124236-37-9
Multi CAS
No
Molecular Formula
C8H6F3NO2
Molecular Weight
205.130000
Exact Mass
205.035063
SMILES
COC(=O)C1=NC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c1-14-7(13)6-3-2-5(4-12-6)8(9,10)11/h2-4H,1H3
InChIKey
CHRQADSGOKVKER-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
1.9
Consensus LogP
1.82
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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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