CAS RN: 731002-59-8
2-Chloro-3-hydroxy-4-(trifluoromethyl)pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250212 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS731002-59-8
- Purity/Analytical Methods: >99.0%
731002-59-8 / 2-chloro-4-(trifluoromethyl)pyridin-3-ol
Basic Information
CAS
731002-59-8
Multi CAS
Yes
Molecular Formula
C6H3CLF3NO
Molecular Weight
197.540000
Exact Mass
196.985526
InChI
InChI=1S/C6H3ClF3NO/c7-5-4(12)3(1-2-11-5)6(8,9)10/h1-2,12H
InChIKey
FWUISHIPDMLMDO-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
2.3
Consensus LogP
2.31
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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