[email protected]
CAS 1227574-99-3 2-fluoro-5-(trifluoromethyl)isonicotinic acid molecular structure lightbox
CAS RN: 1227574-99-3

2-fluoro-5-(trifluoromethyl)isonicotinic acid

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 100mg In stock Tianjin Inquiry
Batchno.20250812 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250501 250mg In stock Shenzhen Inquiry
  • Product code: SSC-026043
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: ＞97%
  • 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 1227574-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1227574-99-3 / 2-fluoro-5-(trifluoromethyl)pyridine-4-carboxylic acid

Standard CAS: 1227574-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227574-99-3
Multi CAS
No
Molecular Formula
C7H3F4NO2
Molecular Weight
209.100000
Exact Mass
209.009991
SMILES
C1=C(C(=CN=C1F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H3F4NO2/c8-5-1-3(6(13)14)4(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey
BDDFVXARBRBJDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.16
TPSA
50.19

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.62

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

Customers Also Viewed

Get In Touch

Contact Us