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CAS 1010422-53-3 3-Bromo-2-methyl-6-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1010422-53-3

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-001897
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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 1010422-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1010422-53-3 / 3-bromo-2-methyl-6-(trifluoromethyl)pyridine

3-Bromo-2-methyl-6-(trifluoromethyl)pyridine | MFCD18255964 | Pyridine, 3-bromo-2-methyl-6-(trifluoromethyl)-

Standard CAS: 1010422-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1010422-53-3
Multi CAS
No
Molecular Formula
C7H5BrF3N
Molecular Weight
240.020000
Exact Mass
238.955750
SMILES
CC1=C(C=CC(=N1)C(F)(F)F)Br
InChI
InChI=1S/C7H5BrF3N/c1-4-5(8)2-3-6(12-4)7(9,10)11/h2-3H,1H3
InChIKey
VKKRFOKZVOJQNN-UHFFFAOYSA-N
Synonyms
3-Bromo-2-methyl-6-(trifluoromethyl)pyridine MFCD18255964 Pyridine, 3-bromo-2-methyl-6-(trifluoromethyl)- SCHEMBL17119432 DTXSID40743621

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
41.68
TPSA
12.89

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

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