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CAS 1112213-20-3 3-AMino-6-chloropyridine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1112213-20-3

3-AMino-6-chloropyridine-2-carboxylic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1112213-20-3
  • Purity/Analytical Methods: >99.0%
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1112213-20-3 / 3-amino-6-chloropyridine-2-carboxylic acid;hydrochloride

3-Amino-6-chloropyridine-2-carboxylic acid hydrochloride | 3-Amino-6-chloropicolinic acid hydrochloride | 3-amino-6-chloro-pyridine-2-carboxylic acid hydrochloride

Standard CAS: 1112213-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1112213-20-3
Multi CAS
No
Molecular Formula
C6H6Cl2N2O2
Molecular Weight
209.030000
Exact Mass
207.980633
SMILES
C1=CC(=NC(=C1N)C(=O)O)Cl.Cl
InChI
InChI=1S/C6H5ClN2O2.ClH/c7-4-2-1-3(8)5(9-4)6(10)11;/h1-2H,8H2,(H,10,11);1H
InChIKey
GBRRURQFMSIEKB-UHFFFAOYSA-N
Synonyms
3-Amino-6-chloropyridine-2-carboxylic acid hydrochloride 3-Amino-6-chloropicolinic acid hydrochloride 3-amino-6-chloro-pyridine-2-carboxylic acid hydrochloride MFCD19689878 C6H6Cl2N2O2

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.87
TPSA
76.21

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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