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CAS 106877-32-1 2-TRIFLUOROMETHYL-3-AMINOPYRIDINE molecular structure lightbox
CAS RN: 106877-32-1

2-TRIFLUOROMETHYL-3-AMINOPYRIDINE

  • Product code: SSC-008370
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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: ＞97%
  • 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 106877-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

106877-32-1 / 2-(trifluoromethyl)pyridin-3-amine

2-(trifluoromethyl)pyridin-3-amine | DTXSID70439540 | RefChem:462588

Standard CAS: 106877-32-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106877-32-1
Multi CAS
Yes
Molecular Formula
C6H5F3N2
Molecular Weight
162.110000
Exact Mass
162.040483
SMILES
C1=CC(=C(N=C1)C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)5-4(10)2-1-3-11-5/h1-3H,10H2
InChIKey
XZKZVCLLDKWOKM-UHFFFAOYSA-N
Synonyms
2-(trifluoromethyl)pyridin-3-amine DTXSID70439540 RefChem:462588 DTXCID50390362 625-160-4

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.65
TPSA
38.91

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral] H301 (11.4%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (90.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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