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CAS 1060814-96-1 (5-(trifluoroMethoxy)pyridin-2-yl)MethanaMine molecular structure lightbox
CAS RN: 1060814-96-1

(5-(trifluoroMethoxy)pyridin-2-yl)MethanaMine

  • Product code: SSC-007870
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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: 1g
  • 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 1060814-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1060814-96-1 / [5-(trifluoromethoxy)-2-pyridinyl]methanamine

(5-(TRIFLUOROMETHOXY)PYRIDIN-2-YL)METHANAMINE | [5-(trifluoromethoxy)pyridin-2-yl]methanamine | [5-(Trifluoromethoxy)-2-pyridyl]methanamine

Standard CAS: 1060814-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060814-96-1
Multi CAS
No
Molecular Formula
C7H7F3N2O
Molecular Weight
192.140000
Exact Mass
192.051047
SMILES
C1=CC(=NC=C1OC(F)(F)F)CN
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-2-1-5(3-11)12-4-6/h1-2,4H,3,11H2
InChIKey
MJBUPFGGAIAROY-UHFFFAOYSA-N
Synonyms
(5-(TRIFLUOROMETHOXY)PYRIDIN-2-YL)METHANAMINE [5-(trifluoromethoxy)pyridin-2-yl]methanamine [5-(Trifluoromethoxy)-2-pyridyl]methanamine MFCD10698598 AKOS006304149

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.81
TPSA
48.14

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.87

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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