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CAS 1056162-06-1 1-[2-(Trifluoromethyl)pyridin-3-yl]methanamine molecular structure lightbox
CAS RN: 1056162-06-1

1-[2-(Trifluoromethyl)pyridin-3-yl]methanamine

  • Product code: SSC-007331
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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: 1g, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1056162-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

1056162-06-1 / [2-(trifluoromethyl)-3-pyridinyl]methanamine

(2-(Trifluoromethyl)pyridin-3-yl)methanamine | [2-(trifluoromethyl)pyridin-3-yl]methanamine | MFCD10698574

Standard CAS: 1056162-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1056162-06-1
Multi CAS
No
Molecular Formula
C7H7F3N2
Molecular Weight
176.140000
Exact Mass
176.056133
SMILES
C1=CC(=C(N=C1)C(F)(F)F)CN
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H,4,11H2
InChIKey
VTJMYVYYDDHHSP-UHFFFAOYSA-N
Synonyms
(2-(Trifluoromethyl)pyridin-3-yl)methanamine [2-(trifluoromethyl)pyridin-3-yl]methanamine MFCD10698574 3-(Aminomethyl)-2-(trifluoromethyl)pyridine 1-[2-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANAMINE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.13
TPSA
38.91

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
0.6
Consensus LogP
1.18
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.69

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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