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CAS 1256794-12-3 Methyl 3-amino-6-(trifluoromethyl)picolinate molecular structure lightbox
CAS RN: 1256794-12-3

Methyl 3-amino-6-(trifluoromethyl)picolinate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 100mg In stock Shanghai Inquiry
Batchno.20250825 1g In stock Shanghai Inquiry
Batchno.20251017 250mg In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-030683
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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 1256794-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1256794-12-3 / methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate

Standard CAS: 1256794-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256794-12-3
Multi CAS
No
Molecular Formula
C8H7F3N2O2
Molecular Weight
220.150000
Exact Mass
220.045962
SMILES
COC(=O)C1=C(C=CC(=N1)C(F)(F)F)N
InChI
InChI=1S/C8H7F3N2O2/c1-15-7(14)6-4(12)2-3-5(13-6)8(9,10)11/h2-3H,12H2,1H3
InChIKey
YUGAODRFFSGPNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.99
TPSA
65.21

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.8
Consensus LogP
1.52
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.02

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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