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CAS 152684-26-9 5-BROMO-3-METHOXY-2-NITROPYRIDINE molecular structure lightbox
CAS RN: 152684-26-9

5-BROMO-3-METHOXY-2-NITROPYRIDINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250328 1g In stock Inquiry
Batchno.20250731 250mg In stock Inquiry
Batchno.20260312 25g In stock Inquiry
Batchno.20250128 5g In stock Inquiry
  • Product code: SSC-062426
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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 152684-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

152684-26-9 / 5-bromo-3-methoxy-2-nitropyridine

Standard CAS: 152684-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152684-26-9
Multi CAS
No
Molecular Formula
C6H5BrN2O3
Molecular Weight
233.020000
Exact Mass
231.948350
SMILES
COC1=C(N=CC(=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C6H5BrN2O3/c1-12-5-2-4(7)3-8-6(5)9(10)11/h2-3H,1H3
InChIKey
OLWFTDPHNVYMMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.14
TPSA
65.26

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.89

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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