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CAS 59290-85-6 3-NITRO-PYRIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 59290-85-6

3-NITRO-PYRIDINE-2-CARBOXYLIC ACID

  • Product code: SSC-167705
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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, 10g
  • Available purity: >97%
  • 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 59290-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry

59290-85-6 / 3-nitropyridine-2-carboxylic acid

Standard CAS: 59290-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59290-85-6
Multi CAS
No
Molecular Formula
C6H4N2O4
Molecular Weight
168.110000
Exact Mass
168.017107
InChI
InChI=1S/C6H4N2O4/c9-6(10)5-4(8(11)12)2-1-3-7-5/h1-3H,(H,9,10)
InChIKey
ZUUJWCKWJJGJOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.85
TPSA
93.33

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.6
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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