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CAS 1211583-96-8 3-Bromo-2-cyano-6-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1211583-96-8

3-Bromo-2-cyano-6-(trifluoromethyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-022823
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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 1211583-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1211583-96-8 / 3-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile

3-Bromo-6-(trifluoromethyl)picolinonitrile | 3-bromo-2-cyano-6-(trifluoromethyl)pyridine | 3-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile

Standard CAS: 1211583-96-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211583-96-8
Multi CAS
No
Molecular Formula
C7H2BrF3N2
Molecular Weight
251.000000
Exact Mass
249.935350
SMILES
C1=CC(=NC(=C1Br)C#N)C(F)(F)F
InChI
InChI=1S/C7H2BrF3N2/c8-4-1-2-6(7(9,10)11)13-5(4)3-12/h1-2H
InChIKey
GRYWQCYIUBGZKN-UHFFFAOYSA-N
Synonyms
3-Bromo-6-(trifluoromethyl)picolinonitrile 3-bromo-2-cyano-6-(trifluoromethyl)pyridine 3-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile MFCD13185817 2-Cyano-3-bromo-6-trifluoromethylpyridine

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
41.65
TPSA
36.68

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.5
Consensus LogP
2.55
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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