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CAS 55934-03-7 2-Pyridinecarboxylic acid, 6-amino-3,4,5-trichloro- molecular structure lightbox
CAS RN: 55934-03-7

2-Pyridinecarboxylic acid, 6-amino-3,4,5-trichloro-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS55934-03-7
  • Purity/Analytical Methods: >99.0%
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55934-03-7 / 6-amino-3,4,5-trichloropyridine-2-carboxylic acid

Standard CAS: 55934-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55934-03-7
Multi CAS
No
Molecular Formula
C6H3CL3N2O2
Molecular Weight
241.500000
Exact Mass
239.926010
InChI
InChI=1S/C6H3Cl3N2O2/c7-1-2(8)4(6(12)13)11-5(10)3(1)9/h(H2,10,11)(H,12,13)
InChIKey
ATHJTJOXOQJKEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.64
TPSA
76.21

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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