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CAS 1060804-26-3 5-AMINO-4-CHLOROPICOLINIC ACID molecular structure lightbox
CAS RN: 1060804-26-3

5-AMINO-4-CHLOROPICOLINIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1060804-26-3
  • Purity/Analytical Methods: >99.0%
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1060804-26-3 / 5-amino-4-chloropyridine-2-carboxylic acid

5-AMINO-4-CHLOROPICOLINIC ACID | 5-AMINO-4-CHLORO-PYRIDINE-2-CARBOXYLIC ACID | MFCD13189102

Standard CAS: 1060804-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060804-26-3
Multi CAS
No
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
SMILES
C1=C(C(=CN=C1C(=O)O)N)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-3-1-5(6(10)11)9-2-4(3)8/h1-2H,8H2,(H,10,11)
InChIKey
SQSKERWNMLRSJI-UHFFFAOYSA-N
Synonyms
5-AMINO-4-CHLOROPICOLINIC ACID 5-AMINO-4-CHLORO-PYRIDINE-2-CARBOXYLIC ACID MFCD13189102 AB67747 G68965

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.62
TPSA
76.21

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.05

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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