[email protected]
CAS 1095823-39-4 5-Chloro-4-(trifluoromethyl)pyridin-2-amine molecular structure lightbox
CAS RN: 1095823-39-4

5-Chloro-4-(trifluoromethyl)pyridin-2-amine

  • Product code: SSC-010954
GET A QUOTE
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: 0.25g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1095823-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1095823-39-4 / 5-chloro-4-(trifluoromethyl)pyridin-2-amine

RefChem:1072798 | 5-CHLORO-4-(TRIFLUOROMETHYL)-2-PYRIDINAMINE | 5-chloro-4-(trifluoromethyl)pyridin-2-amine

Standard CAS: 1095823-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095823-39-4
Multi CAS
No
Molecular Formula
C6H4ClF3N2
Molecular Weight
196.560000
Exact Mass
196.001510
SMILES
C1=C(C(=CN=C1N)Cl)C(F)(F)F
InChI
InChI=1S/C6H4ClF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
RVHOCQUEFYITIV-UHFFFAOYSA-N
Synonyms
RefChem:1072798 5-CHLORO-4-(TRIFLUOROMETHYL)-2-PYRIDINAMINE 5-chloro-4-(trifluoromethyl)pyridin-2-amine 2-AMINO-5-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE MFCD18255015

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
Consensus LogP
2.13
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

Customers Also Viewed

Get In Touch

Contact Us