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CAS 1227581-20-5 2-Methoxy-6-(trifluoroMethyl)isonicotinic acid molecular structure lightbox
CAS RN: 1227581-20-5

2-Methoxy-6-(trifluoroMethyl)isonicotinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026089
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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 1227581-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1227581-20-5 / 2-methoxy-6-(trifluoromethyl)pyridine-4-carboxylic acid

Standard CAS: 1227581-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227581-20-5
Multi CAS
No
Molecular Formula
C8H6F3NO3
Molecular Weight
221.130000
Exact Mass
221.029978
SMILES
COC1=CC(=CC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H6F3NO3/c1-15-6-3-4(7(13)14)2-5(12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKey
KLQHNZRQGMJSRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.75
TPSA
59.42

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.79

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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