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CAS 1314406-42-2 Methyl 2,6-Dihydroxypyridine-4-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1314406-42-2

Methyl 2,6-Dihydroxypyridine-4-carboxylate Hydrochloride

  • Product code: SSC-038337
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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: 5g
  • 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 1314406-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1314406-42-2 / methyl 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate;hydrochloride

Standard CAS: 1314406-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314406-42-2
Multi CAS
No
Molecular Formula
C7H8ClNO4
Molecular Weight
205.590000
Exact Mass
205.014185
SMILES
COC(=O)C1=CC(=O)NC(=C1)O.Cl
InChI
InChI=1S/C7H7NO4.ClH/c1-12-7(11)4-2-5(9)8-6(10)3-4;/h2-3H,1H3,(H2,8,9,10);1H
InChIKey
MKSGGMGKBZCKKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.32
TPSA
79.39

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

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

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