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CAS 1260666-45-2 3-Amino-6-trifluoromethyl-pyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 1260666-45-2

3-Amino-6-trifluoromethyl-pyridine-2-carboxylic acid

  • Product code: SSC-031826
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260666-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1260666-45-2 / 3-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid

Standard CAS: 1260666-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260666-45-2
Multi CAS
No
Molecular Formula
C7H5F3N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
SMILES
C1=CC(=NC(=C1N)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(11)5(12-4)6(13)14/h1-2H,11H2,(H,13,14)
InChIKey
JCWQZRKHKSPYSI-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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