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CAS 850544-21-7 Methyl 4-amino-5-nitro-2-pyridinecarboxylate molecular structure lightbox
CAS RN: 850544-21-7

Methyl 4-amino-5-nitro-2-pyridinecarboxylate

  • Product code: SSC-192980
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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 850544-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

850544-21-7 / methyl 4-amino-5-nitropyridine-2-carboxylate

Standard CAS: 850544-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
850544-21-7
Multi CAS
Yes
Molecular Formula
C7H7N3O4
Molecular Weight
197.150000
Exact Mass
197.043656
InChI
InChI=1S/C7H7N3O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3,(H2,8,9)
InChIKey
UNPOGSAFUSHRDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
46.64
TPSA
108.35

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
XLogP3
0.7
Consensus LogP
0.46
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.67

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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