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CAS 956576-89-9 4-Hydroxy-2-(trifluoromethyl)nicotinic acid molecular structure lightbox
CAS RN: 956576-89-9

4-Hydroxy-2-(trifluoromethyl)nicotinic acid

  • Product code: SSC-211210
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 956576-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

956576-89-9 / 4-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

Standard CAS: 956576-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956576-89-9
Multi CAS
No
Molecular Formula
C7F3H4NO3
Molecular Weight
207.110000
Exact Mass
207.014327
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)5-4(6(13)14)3(12)1-2-11-5/h1-2H,(H,11,12)(H,13,14)
InChIKey
DJPMDWGFJXYJCZ-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
2
Molar refractivity
39.02
TPSA
70.16

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
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)
-3.21

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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