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CAS 117519-06-9 4-Chloro-6-(trifluoroMethyl)pyridin-2-aMine molecular structure lightbox
CAS RN: 117519-06-9

4-Chloro-6-(trifluoroMethyl)pyridin-2-aMine

  • Product code: SSC-017371
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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: 0.25g
  • Available purity: ＞97%
  • 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 117519-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

117519-06-9 / 4-chloro-6-(trifluoromethyl)pyridin-2-amine

4-Chloro-6-(trifluoromethyl)pyridin-2-amine | DTXSID50558389 | RefChem:1070505

Standard CAS: 117519-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117519-06-9
Multi CAS
No
Molecular Formula
C6H4ClF3N2
Molecular Weight
196.560000
Exact Mass
196.001510
SMILES
C1=C(C=C(N=C1C(F)(F)F)N)Cl
InChI
InChI=1S/C6H4ClF3N2/c7-3-1-4(6(8,9)10)12-5(11)2-3/h1-2H,(H2,11,12)
InChIKey
YGQHTGQCEBDIDJ-UHFFFAOYSA-N
Synonyms
4-Chloro-6-(trifluoromethyl)pyridin-2-amine DTXSID50558389 RefChem:1070505 DTXCID10509170 MFCD13189922

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.66
TPSA
38.91

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.26

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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