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CAS 3537-09-5 6-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE molecular structure lightbox
CAS RN: 3537-09-5

6-NITRO-3H-IMIDAZO[4,5-B]PYRIDINE

  • Product code: SSC-142360
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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 3537-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3537-09-5 / 6-nitro-1H-imidazo[4,5-b]pyridine

Standard CAS: 3537-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3537-09-5
Multi CAS
No
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
InChI
InChI=1S/C6H4N4O2/c11-10(12)4-1-5-6(7-2-4)9-3-8-5/h1-3H,(H,7,8,9)
InChIKey
NYSTWXCATZYTAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.54
TPSA
84.71

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.6
Consensus LogP
0.74
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.11

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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