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CAS 944900-39-4 2-Amino-5-(trifluoromethyl)nicotinic acid molecular structure lightbox
CAS RN: 944900-39-4

2-Amino-5-(trifluoromethyl)nicotinic acid

  • Product code: SSC-209436
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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 944900-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

944900-39-4 / 2-amino-5-(trifluoromethyl)pyridine-3-carboxylic acid

Standard CAS: 944900-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944900-39-4
Multi CAS
No
Molecular Formula
C7F3H5N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-4(6(13)14)5(11)12-2-3/h1-2H,(H2,11,12)(H,13,14)
InChIKey
KTYDRFWLNANPIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.61
TPSA
76.21

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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

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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