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CAS 53940-10-6 3-CYANOPYRIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 53940-10-6

3-CYANOPYRIDINE-2-CARBOXYLIC ACID

  • Product code: SSC-161364
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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: 0.1g, 0.25g, 1g, 5g
  • 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 53940-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

53940-10-6 / 3-cyanopyridine-2-carboxylic acid

Standard CAS: 53940-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53940-10-6
Multi CAS
Yes
Molecular Formula
C7H4N2O2
Molecular Weight
148.120000
Exact Mass
148.027277
InChI
InChI=1S/C7H4N2O2/c8-4-5-2-1-3-9-6(5)7(10)11/h1-3H,(H,10,11)
InChIKey
MQQNUUHOZRDQQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.91
TPSA
73.98

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.4
Consensus LogP
0.54
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.16

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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