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CAS 13505-06-1 3-HYDROXY-4-NITROPYRIDINE molecular structure lightbox
CAS RN: 13505-06-1

3-HYDROXY-4-NITROPYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-042918
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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 13505-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13505-06-1 / 4-nitropyridin-3-ol

Standard CAS: 13505-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13505-06-1
Multi CAS
No
Molecular Formula
C5H4N2O3
Molecular Weight
140.100000
Exact Mass
140.022192
SMILES
C1=CN=CC(=C1[N+](=O)[O-])O
InChI
InChI=1S/C5H4N2O3/c8-5-3-6-2-1-4(5)7(9)10/h1-3,8H
InChIKey
BVXHEFWTMMZHDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.56
TPSA
76.26

LogP / Solubility

WLOGP
0.7
MLOGP
0.6
XLogP3
0.9
Consensus LogP
0.73
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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