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CAS 21901-19-9 2-hydrazinyl-4-methyl-3-nitroPyridine molecular structure lightbox
CAS RN: 21901-19-9

2-hydrazinyl-4-methyl-3-nitroPyridine

  • Product code: SSC-105438
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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 21901-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

21901-19-9 / (4-methyl-3-nitro-2-pyridinyl)hydrazine

Standard CAS: 21901-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21901-19-9
Multi CAS
No
Molecular Formula
C6H8N4O2
Molecular Weight
168.150000
Exact Mass
168.064726
SMILES
CC1=C(C(=NC=C1)NN)[N+](=O)[O-]
InChI
InChI=1S/C6H8N4O2/c1-4-2-3-8-6(9-7)5(4)10(11)12/h2-3H,7H2,1H3,(H,8,9)
InChIKey
FEMCZZPXKCVKMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43.44
TPSA
94.08

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
1.2
Consensus LogP
0.76
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.36
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)
-3.33

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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