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CAS 288246-61-7 2-HYDRAZINO-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 288246-61-7

2-HYDRAZINO-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE

  • Product code: SSC-130591
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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 288246-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

288246-61-7 / [3-nitro-5-(trifluoromethyl)-2-pyridinyl]hydrazine

Standard CAS: 288246-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
288246-61-7
Multi CAS
No
Molecular Formula
C6H5F3N4O2
Molecular Weight
222.120000
Exact Mass
222.036460
InChI
InChI=1S/C6H5F3N4O2/c7-6(8,9)3-1-4(13(14)15)5(12-10)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey
CUUQSZLMISKOHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43.7
TPSA
94.08

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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