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CAS 27715-68-0 2-Methyl-5-nitronicotinaMide molecular structure lightbox
CAS RN: 27715-68-0

2-Methyl-5-nitronicotinaMide

  • Product code: SSC-128050
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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 27715-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27715-68-0 / 2-methyl-5-nitropyridine-3-carboxamide

Standard CAS: 27715-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27715-68-0
Multi CAS
No
Molecular Formula
C7H7N3O3
Molecular Weight
181.150000
Exact Mass
181.048741
InChI
InChI=1S/C7H7N3O3/c1-4-6(7(8)11)2-5(3-9-4)10(12)13/h2-3H,1H3,(H2,8,11)
InChIKey
UKZVQIOQFZXJPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.15
TPSA
99.12

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
Consensus LogP
0.25
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.54

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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