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CAS 103997-21-3 5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 103997-21-3

5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-005701
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103997-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

103997-21-3 / 5-chloro-6-oxo-1H-pyridine-2-carboxylic acid

5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid | DTXSID50632835 | RefChem:302610

Standard CAS: 103997-21-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103997-21-3
Multi CAS
Yes
Molecular Formula
C6H4ClNO3
Molecular Weight
173.550000
Exact Mass
172.987971
SMILES
C1=C(C(=O)NC(=C1)C(=O)O)Cl
InChI
InChI=1S/C6H4ClNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11)
InChIKey
GJCDETCQSYSYFT-UHFFFAOYSA-N
Synonyms
5-Chloro-6-oxo-1,6-dihydropyridine-2-carboxylic acid DTXSID50632835 RefChem:302610 DTXCID20583587 5-chloro-6-oxo-1H-pyridine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.03
TPSA
70.16

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.8
Consensus LogP
0.72
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.26

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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