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CAS 1130344-76-1 Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate molecular structure lightbox
CAS RN: 1130344-76-1

Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013251
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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 1130344-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1130344-76-1 / methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate | methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate | MFCD12025929

Standard CAS: 1130344-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1130344-76-1
Multi CAS
No
Molecular Formula
C8H4Cl2F3NO2
Molecular Weight
274.020000
Exact Mass
272.957118
SMILES
COC(=O)C1=C(N=C(C=C1C(F)(F)F)Cl)Cl
InChI
InChI=1S/C8H4Cl2F3NO2/c1-16-7(15)5-3(8(11,12)13)2-4(9)14-6(5)10/h2H,1H3
InChIKey
IYTYTJDDVIXLFF-UHFFFAOYSA-N
Synonyms
methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate MFCD12025929 SCHEMBL831077 DTXSID90670610

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.6
TPSA
39.19

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.5
Consensus LogP
3.17
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
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)
-2.12

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

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