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CAS 1061358-78-8 6-Chloro-3-trifluoromethylpyridin-4-ylamine molecular structure lightbox
CAS RN: 1061358-78-8

6-Chloro-3-trifluoromethylpyridin-4-ylamine

  • Product code: SSC-007954
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1061358-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1061358-78-8 / 2-chloro-5-(trifluoromethyl)pyridin-4-amine

2-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-4-AMINE | 2-Chloro-5-(trifluoromethyl)-4-pyridinamine | DTXSID601263465

Standard CAS: 1061358-78-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1061358-78-8
Multi CAS
No
Molecular Formula
C6H4ClF3N2
Molecular Weight
196.560000
Exact Mass
196.001510
SMILES
C1=C(C(=CN=C1Cl)C(F)(F)F)N
InChI
InChI=1S/C6H4ClF3N2/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
BVKYVDJDCQLPEC-UHFFFAOYSA-N
Synonyms
2-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-4-AMINE 2-Chloro-5-(trifluoromethyl)-4-pyridinamine DTXSID601263465 RefChem:469262 DTXCID201694141

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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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