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CAS 6960-20-9 3-METHYL-5-NITROPYRIDINE molecular structure lightbox
CAS RN: 6960-20-9

3-METHYL-5-NITROPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-179313
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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: 5g
  • Available purity: ≥96%
  • 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 6960-20-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

6960-20-9 / 3-methyl-5-nitropyridine

Standard CAS: 6960-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6960-20-9
Multi CAS
Yes
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
InChI
InChI=1S/C6H6N2O2/c1-5-2-6(8(9)10)4-7-3-5/h2-4H,1H3
InChIKey
OQWXZZCTJZOSGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.63
TPSA
56.03

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.64

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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