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CAS 222970-60-7 Methyl 5-aMino-6-hydroxypyridine-3-carboxylate molecular structure lightbox
CAS RN: 222970-60-7

Methyl 5-aMino-6-hydroxypyridine-3-carboxylate

  • Product code: SSC-108512
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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 222970-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

222970-60-7 / methyl 5-amino-6-oxo-1H-pyridine-3-carboxylate

Standard CAS: 222970-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222970-60-7
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
COC(=O)C1=CNC(=O)C(=C1)N
InChI
InChI=1S/C7H8N2O3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,8H2,1H3,(H,9,10)
InChIKey
VBLORHWVTGBGNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.81
TPSA
85.18

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.23
XLogP3
-0.7
Consensus LogP
-0.4
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.93

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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