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CAS 116470-66-7 2-(TRIFLUOROMETHYL)-5-NITROPYRIDINE molecular structure lightbox
CAS RN: 116470-66-7

2-(TRIFLUOROMETHYL)-5-NITROPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016491
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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: ＞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 116470-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

116470-66-7 / 5-nitro-2-(trifluoromethyl)pyridine

5-nitro-2-(trifluoromethyl)pyridine | DTXSID50554189 | RefChem:304395

Standard CAS: 116470-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116470-66-7
Multi CAS
No
Molecular Formula
C6H3F3N2O2
Molecular Weight
192.100000
Exact Mass
192.014662
SMILES
C1=CC(=NC=C1[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-2-1-4(3-10-5)11(12)13/h1-3H
InChIKey
ZTSJYRKGWJZNON-UHFFFAOYSA-N
Synonyms
5-nitro-2-(trifluoromethyl)pyridine DTXSID50554189 RefChem:304395 DTXCID00504972 2-(Trifluoromethyl)-5-nitropyridine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
35.89
TPSA
56.03

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.47

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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