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CAS 5427-92-9 ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate molecular structure lightbox
CAS RN: 5427-92-9

ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate

  • Product code: SSC-161902
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5427-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5427-92-9 / ethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate

Standard CAS: 5427-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5427-92-9
Multi CAS
Yes
Molecular Formula
C10H9N3O5
Molecular Weight
251.200000
Exact Mass
251.054220
InChI
InChI=1S/C10H9N3O5/c1-3-18-10(15)7-6(4-11)9(14)12-5(2)8(7)13(16)17/h3H2,1-2H3,(H,12,14)
InChIKey
DAZOHUVXTFNNMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.13
TPSA
126.09

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
Consensus LogP
0.4
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.8

Drug-likeness / Medicinal Chemistry

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

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