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CAS 1291487-27-8 2-Acetamido-6-trifluoromethylpyridine molecular structure lightbox
CAS RN: 1291487-27-8

2-Acetamido-6-trifluoromethylpyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1291487-27-8
  • Purity/Analytical Methods: >99.0%
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1291487-27-8 / N-[6-(trifluoromethyl)-2-pyridinyl]acetamide

Standard CAS: 1291487-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1291487-27-8
Multi CAS
No
Molecular Formula
C8H7F3N2O
Molecular Weight
204.150000
Exact Mass
204.051047
SMILES
CC(=O)NC1=CC=CC(=N1)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O/c1-5(14)12-7-4-2-3-6(13-7)8(9,10)11/h2-4H,1H3,(H,12,13,14)
InChIKey
ZFTVTHHBFDMMTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.54
TPSA
41.99

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
1.3
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.5

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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