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CAS 731002-60-1 2-chloro-6-(trifluoroMethyl)pyridin-3-ol molecular structure lightbox
CAS RN: 731002-60-1

2-chloro-6-(trifluoroMethyl)pyridin-3-ol

  • Product code: SSC-182564
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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: ＞97%
  • 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 731002-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

731002-60-1 / 2-chloro-6-(trifluoromethyl)pyridin-3-ol

Standard CAS: 731002-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
731002-60-1
Multi CAS
No
Molecular Formula
C6H3CLF3NO
Molecular Weight
197.540000
Exact Mass
196.985526
InChI
InChI=1S/C6H3ClF3NO/c7-5-3(12)1-2-4(11-5)6(8,9)10/h1-2,12H
InChIKey
GNWCKTRJDNPOFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.91
TPSA
33.12

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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