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CAS 1211515-34-2 5-chloro-3-hydroxypicolinic acid molecular structure lightbox
CAS RN: 1211515-34-2

5-chloro-3-hydroxypicolinic acid

  • Product code: SSC-022534
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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: 1g
  • 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 1211515-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1211515-34-2 / 5-chloro-3-hydroxypyridine-2-carboxylic acid

5-chloro-3-hydroxypyridine-2-carboxylic acid | 5-chloro-3-hydroxypicolinic acid | SCHEMBL8514986

Standard CAS: 1211515-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211515-34-2
Multi CAS
No
Molecular Formula
C6H4ClNO3
Molecular Weight
173.550000
Exact Mass
172.987971
SMILES
C1=C(C=NC(=C1O)C(=O)O)Cl
InChI
InChI=1S/C6H4ClNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)
InChIKey
ITICQDWLEYMJNF-UHFFFAOYSA-N
Synonyms
5-chloro-3-hydroxypyridine-2-carboxylic acid 5-chloro-3-hydroxypicolinic acid SCHEMBL8514986 MFCD18257355 AKOS026744492

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
37.87
TPSA
70.42

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.5
Consensus LogP
1.21
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.97

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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