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CAS 745784-04-7 3,5-Difluoropicolinic acid molecular structure lightbox
CAS RN: 745784-04-7

3,5-Difluoropicolinic acid

  • Product code: SSC-184027
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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, 500g
  • Available purity: ≥98%
  • 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 745784-04-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 4 In Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

745784-04-7 / 3,5-difluoropyridine-2-carboxylic acid

Standard CAS: 745784-04-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
745784-04-7
Multi CAS
No
Molecular Formula
C6F2H3NO2
Molecular Weight
159.090000
Exact Mass
159.013185
InChI
InChI=1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChIKey
QKLXAJQKMIWFRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.11
TPSA
50.19

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-2.94

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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