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CAS 197847-94-2 6-(2-Trifluoromethoxyphenyl)-nicotinic acid molecular structure lightbox
CAS RN: 197847-94-2

6-(2-Trifluoromethoxyphenyl)-nicotinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-093259
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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, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 197847-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry

197847-94-2 / 6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

Standard CAS: 197847-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197847-94-2
Multi CAS
No
Molecular Formula
C13H8F3NO3
Molecular Weight
283.200000
Exact Mass
283.045628
SMILES
C1=CC=C(C(=C1)C2=NC=C(C=C2)C(=O)O)OC(F)(F)F
InChI
InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)10-6-5-8(7-17-10)12(18)19/h1-7H,(H,18,19)
InChIKey
UZTLKBORYPDIRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.32
TPSA
59.42

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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