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CAS 185422-96-2 2,6-DICHLORO-3-HYDROXYPYRIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 185422-96-2

2,6-DICHLORO-3-HYDROXYPYRIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-085828
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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: ＞97%
  • 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 185422-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

185422-96-2 / 2,6-dichloro-3-hydroxypyridine-4-carboxylic acid

Standard CAS: 185422-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185422-96-2
Multi CAS
No
Molecular Formula
C6H3Cl2NO3
Molecular Weight
208.000000
Exact Mass
206.948998
SMILES
C1=C(C(=C(N=C1Cl)Cl)O)C(=O)O
InChI
InChI=1S/C6H3Cl2NO3/c7-3-1-2(6(11)12)4(10)5(8)9-3/h1,10H,(H,11,12)
InChIKey
LOQNBXJKGZGLCJ-UHFFFAOYSA-N

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
42.88
TPSA
70.42

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
2.5
Consensus LogP
1.96
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.72

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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