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CAS 30235-19-9 4-Chloro-6-methylpyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 30235-19-9

4-Chloro-6-methylpyridine-2-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS30235-19-9
  • Purity/Analytical Methods: >99.0%
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30235-19-9 / 4-chloro-6-methylpyridine-2-carboxylic acid

Standard CAS: 30235-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30235-19-9
Multi CAS
No
Molecular Formula
C7H6CLNO2
Molecular Weight
171.580000
Exact Mass
171.008706
InChI
InChI=1S/C7H6ClNO2/c1-4-2-5(8)3-6(9-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
PEJDNNLWNHKKKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.94
TPSA
50.19

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.53

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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