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CAS 1242339-20-3 N-Methyl-6-(trifluoromethyl)pyridin-2-amine molecular structure lightbox
CAS RN: 1242339-20-3

N-Methyl-6-(trifluoromethyl)pyridin-2-amine

  • Product code: SSC-028123
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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: 5g
  • 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 1242339-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1242339-20-3 / N-methyl-6-(trifluoromethyl)pyridin-2-amine

Standard CAS: 1242339-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1242339-20-3
Multi CAS
No
Molecular Formula
C7H7F3N2
Molecular Weight
176.140000
Exact Mass
176.056133
SMILES
CNC1=CC=CC(=N1)C(F)(F)F
InChI
InChI=1S/C7H7F3N2/c1-11-6-4-2-3-5(12-6)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKey
FOAUSALTDRHMLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.79
TPSA
24.92

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.27

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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