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CAS 76041-71-9 3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 76041-71-9

3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE

  • Product code: SSC-185484
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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: 25g, 10g, 1g, 5g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 76041-71-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 4 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

76041-71-9 / 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one

Standard CAS: 76041-71-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76041-71-9
Multi CAS
Yes
Molecular Formula
C6H3CLF3NO
Molecular Weight
197.540000
Exact Mass
196.985526
InChI
InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKey
AJPOOWWMZOPUCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.07
TPSA
32.86

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
1.5
Consensus LogP
1.78
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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