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CAS 1037160-20-5 3-(2,2,2-trifluoroethoxy)pyridin-2-amine molecular structure lightbox
CAS RN: 1037160-20-5

3-(2,2,2-trifluoroethoxy)pyridin-2-amine

  • Product code: SSC-005320
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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 1037160-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1037160-20-5 / 3-(2,2,2-trifluoroethoxy)pyridin-2-amine

3-(2,2,2-trifluoroethoxy)pyridin-2-amine | MFCD11195113 | SCHEMBL2123624

Standard CAS: 1037160-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1037160-20-5
Multi CAS
No
Molecular Formula
C7H7F3N2O
Molecular Weight
192.140000
Exact Mass
192.051047
SMILES
C1=CC(=C(N=C1)N)OCC(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)4-13-5-2-1-3-12-6(5)11/h1-3H,4H2,(H2,11,12)
InChIKey
BSSPNISMQJMZBJ-UHFFFAOYSA-N
Synonyms
3-(2,2,2-trifluoroethoxy)pyridin-2-amine MFCD11195113 SCHEMBL2123624 DA-25439 CS-0339717

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
40.2
TPSA
48.14

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.75

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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