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CAS 1196153-48-6 5-Bromo-2-trifluoromethyl-nicotinic acid ethyl ester molecular structure lightbox
CAS RN: 1196153-48-6

5-Bromo-2-trifluoromethyl-nicotinic acid ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020224
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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 1196153-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1196153-48-6 / ethyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate

ETHYL 5-BROMO-2-(TRIFLUOROMETHYL)NICOTINATE | ETHYL 5-BROMO-2-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLATE | 5-BROMO-2-TRIFLUOROMETHYL-NICOTINIC ACID ETHYL ESTER

Standard CAS: 1196153-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196153-48-6
Multi CAS
No
Molecular Formula
C9H7BrF3NO2
Molecular Weight
298.060000
Exact Mass
296.961230
SMILES
CCOC(=O)C1=C(N=CC(=C1)Br)C(F)(F)F
InChI
InChI=1S/C9H7BrF3NO2/c1-2-16-8(15)6-3-5(10)4-14-7(6)9(11,12)13/h3-4H,2H2,1H3
InChIKey
YEAIEMZSNDSLHE-UHFFFAOYSA-N
Synonyms
ETHYL 5-BROMO-2-(TRIFLUOROMETHYL)NICOTINATE ETHYL 5-BROMO-2-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLATE 5-BROMO-2-TRIFLUOROMETHYL-NICOTINIC ACID ETHYL ESTER MFCD11976018 3-Pyridinecarboxylic acid, 5-bromo-2-(trifluoromethyl)-, ethyl ester

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
52.9
TPSA
39.19

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly 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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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