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CAS 1214330-62-7 3-Bromo-2,4-dichloro-6-(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 1214330-62-7

3-Bromo-2,4-dichloro-6-(trifluoromethyl)pyridine

  • Product code: SSC-023649
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1214330-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 4 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry

1214330-62-7 / 3-bromo-2,4-dichloro-6-(trifluoromethyl)pyridine

Standard CAS: 1214330-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214330-62-7
Multi CAS
No
Molecular Formula
C6HBrCl2F3N
Molecular Weight
294.880000
Exact Mass
292.862150
SMILES
C1=C(C(=C(N=C1C(F)(F)F)Cl)Br)Cl
InChI
InChI=1S/C6HBrCl2F3N/c7-4-2(8)1-3(6(10,11)12)13-5(4)9/h1H
InChIKey
SWRQXBKMDSJSHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
46.96
TPSA
12.89

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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