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CAS 866775-16-8 3-Nitro-5-trifluoromethyl-pyridine-2-carbonitrile molecular structure lightbox
CAS RN: 866775-16-8

3-Nitro-5-trifluoromethyl-pyridine-2-carbonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-195918
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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 866775-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

866775-16-8 / 3-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile

Standard CAS: 866775-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866775-16-8
Multi CAS
No
Molecular Formula
C7F3H2N3O2
Molecular Weight
217.100000
Exact Mass
217.009911
InChI
InChI=1S/C7H2F3N3O2/c8-7(9,10)4-1-6(13(14)15)5(2-11)12-3-4/h1,3H
InChIKey
UZSOJPPOSGGMMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.61
TPSA
79.82

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.71

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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