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CAS 111928-64-4 6-Chloro-3-nitro-5-(trifluoromethyl)pyridin-2-amine molecular structure lightbox
CAS RN: 111928-64-4

6-Chloro-3-nitro-5-(trifluoromethyl)pyridin-2-amine

  • Product code: SSC-012401
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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 111928-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

111928-64-4 / 6-chloro-3-nitro-5-(trifluoromethyl)pyridin-2-amine

6-Chloro-3-nitro-5-(trifluoromethyl)pyridin-2-amine | MFCD27987148 | C6H3ClF3N3O2

Standard CAS: 111928-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111928-64-4
Multi CAS
No
Molecular Formula
C6H3ClF3N3O2
Molecular Weight
241.550000
Exact Mass
240.986589
SMILES
C1=C(C(=NC(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3N3O2/c7-4-2(6(8,9)10)1-3(13(14)15)5(11)12-4/h1H,(H2,11,12)
InChIKey
GVUDDAXTJZAQQM-UHFFFAOYSA-N
Synonyms
6-Chloro-3-nitro-5-(trifluoromethyl)pyridin-2-amine MFCD27987148 C6H3ClF3N3O2 SCHEMBL8976064 GVUDDAXTJZAQQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.32
TPSA
82.05

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.7
Consensus LogP
2.31
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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