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CAS 1211518-35-2 Methyl 6-chloro-5-(trifluoroMethyl)picolinate molecular structure lightbox
CAS RN: 1211518-35-2

Methyl 6-chloro-5-(trifluoroMethyl)picolinate

  • Product code: SSC-022559
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1211518-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1211518-35-2 / methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

Methyl 6-chloro-5-(trifluoromethyl)picolinate | methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate | MFCD18255501

Standard CAS: 1211518-35-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211518-35-2
Multi CAS
No
Molecular Formula
C8H5ClF3NO2
Molecular Weight
239.580000
Exact Mass
238.996091
SMILES
COC(=O)C1=NC(=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-3-2-4(6(9)13-5)8(10,11)12/h2-3H,1H3
InChIKey
PODTYUCVUPUSNR-UHFFFAOYSA-N
Synonyms
Methyl 6-chloro-5-(trifluoromethyl)picolinate methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate MFCD18255501 Methyl6-chloro-5-(trifluoromethyl)picolinate SCHEMBL14151683

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.59
TPSA
39.19

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.38

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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