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CAS 58498-61-6 5-CHLORO-2-HYDROXY-3-METHYLPYRIDINE molecular structure lightbox
CAS RN: 58498-61-6

5-CHLORO-2-HYDROXY-3-METHYLPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58498-61-6
  • Purity/Analytical Methods: >99.0%
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58498-61-6 / 5-chloro-3-methyl-1H-pyridin-2-one

Standard CAS: 58498-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58498-61-6
Multi CAS
Yes
Molecular Formula
C6H6CLNO
Molecular Weight
143.570000
Exact Mass
143.013792
InChI
InChI=1S/C6H6ClNO/c1-4-2-5(7)3-8-6(4)9/h2-3H,1H3,(H,8,9)
InChIKey
CBGCPCNUPUGPIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.81
TPSA
32.86

LogP / Solubility

WLOGP
1.34
MLOGP
1.17
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.65

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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