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CAS 210300-09-7 3-Hydroxy-4-Methoxypyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 210300-09-7

3-Hydroxy-4-Methoxypyridine-2-carboxylic acid

  • Product code: SSC-100087
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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, 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 210300-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

210300-09-7 / 3-hydroxy-4-methoxypyridine-2-carboxylic acid

Standard CAS: 210300-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210300-09-7
Multi CAS
No
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
SMILES
COC1=C(C(=NC=C1)C(=O)O)O
InChI
InChI=1S/C7H7NO4/c1-12-4-2-3-8-5(6(4)9)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKey
OBHHCPRYWZKEIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.41
TPSA
79.65

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.9
Consensus LogP
0.61
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.4

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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