[email protected]
CAS 1196154-43-4 2-CHLORO-6-TRIFLUOROMETHYL-ISONICOTINIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 1196154-43-4

2-CHLORO-6-TRIFLUOROMETHYL-ISONICOTINIC ACID ETHYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-020241
GET A QUOTE
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
Request Bulk Quote

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 1196154-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1196154-43-4 / ethyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate

ETHYL 2-CHLORO-6-(TRIFLUOROMETHYL)ISONICOTINATE | ETHYL 2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-4-CARBOXYLATE | MFCD13190044

Standard CAS: 1196154-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196154-43-4
Multi CAS
No
Molecular Formula
C9H7ClF3NO2
Molecular Weight
253.600000
Exact Mass
253.011741
SMILES
CCOC(=O)C1=CC(=NC(=C1)Cl)C(F)(F)F
InChI
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)5-3-6(9(11,12)13)14-7(10)4-5/h3-4H,2H2,1H3
InChIKey
GNYKPDXWDIAZHL-UHFFFAOYSA-N
Synonyms
ETHYL 2-CHLORO-6-(TRIFLUOROMETHYL)ISONICOTINATE ETHYL 2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-4-CARBOXYLATE MFCD13190044 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, ethyl ester SCHEMBL6121134

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.21
TPSA
39.19

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
3
Consensus LogP
2.84
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-2.19

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us