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CAS 2554-75-8 N,N-dimethyl-5-nitropyridin-2-amine molecular structure lightbox
CAS RN: 2554-75-8

N,N-dimethyl-5-nitropyridin-2-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-121603
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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: ＞97%
  • 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 2554-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2554-75-8 / N,N-dimethyl-5-nitropyridin-2-amine

Standard CAS: 2554-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2554-75-8
Multi CAS
No
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
SMILES
CN(C)C1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c1-9(2)7-4-3-6(5-8-7)10(11)12/h3-5H,1-2H3
InChIKey
UCAOGXRUJFKQAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.22
TPSA
59.27

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.7
Consensus LogP
1.23
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.99

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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