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CAS 231291-22-8 6-(Trifluoromethyl)nicotinic Acid molecular structure lightbox
CAS RN: 231291-22-8

6-(Trifluoromethyl)nicotinic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260517 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
  • Product code: SSC-112622
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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, 100g
  • Available purity: ≥98%
  • 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 231291-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 3 In Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

231291-22-8 / 6-(trifluoromethyl)pyridine-3-carboxylic acid

Standard CAS: 231291-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
231291-22-8
Multi CAS
No
Molecular Formula
C7H4F3NO2
Molecular Weight
191.110000
Exact Mass
191.019413
SMILES
C1=CC(=NC=C1C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)
InChIKey
JNYLMODTPLSLIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.2
TPSA
50.19

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.3
Consensus LogP
1.56
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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