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CAS 505084-59-3 2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid molecular structure lightbox
CAS RN: 505084-59-3

2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid

  • Product code: SSC-157078
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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, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 505084-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

505084-59-3 / 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid

Standard CAS: 505084-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
505084-59-3
Multi CAS
No
Molecular Formula
C7H3CLF3NO2
Molecular Weight
225.550000
Exact Mass
224.980441
InChI
InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey
RMSKYTKOFDQVEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.21
TPSA
50.19

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.35

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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