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CAS 1211528-48-1 3-Methoxy-5-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1211528-48-1

3-Methoxy-5-(trifluoromethyl)pyridine

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260531 100mg Out of stock Inquiry
Batchno.20250707 1g Out of stock Inquiry
Batchno.20260327 250mg Out of stock Inquiry
  • Product code: SSC-022633
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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 1211528-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1211528-48-1 / 3-methoxy-5-(trifluoromethyl)pyridine

3-Methoxy-5-(trifluoromethyl)pyridine | MFCD13185703 | SCHEMBL1035122

Standard CAS: 1211528-48-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211528-48-1
Multi CAS
No
Molecular Formula
C7H6F3NO
Molecular Weight
177.120000
Exact Mass
177.040148
SMILES
COC1=CN=CC(=C1)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c1-12-6-2-5(3-11-4-6)7(8,9)10/h2-4H,1H3
InChIKey
FWMPCZHJJWTOIP-UHFFFAOYSA-N
Synonyms
3-Methoxy-5-(trifluoromethyl)pyridine MFCD13185703 SCHEMBL1035122 SCHEMBL2178109 SCHEMBL2202031

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.79
TPSA
22.12

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.3

Drug-likeness / Medicinal Chemistry

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

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