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CAS 121263-10-3 2,4-DIBROMO-3-NITROPYRIDINE molecular structure lightbox
CAS RN: 121263-10-3

2,4-DIBROMO-3-NITROPYRIDINE

  • Product code: SSC-023066
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121263-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

121263-10-3 / 2,4-dibromo-3-nitropyridine

3,5-dibromo-4-nitropyridine | 3,5-Dibromo-4-nitro-pyridine | MFCD04113812

Standard CAS: 121263-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
121263-10-3
Multi CAS
Yes
Molecular Formula
C5H2Br2N2O2
Molecular Weight
281.890000
Exact Mass
281.846250
SMILES
C1=CN=C(C(=C1Br)[N+](=O)[O-])Br
InChI
InChI=1S/C5H2Br2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
InChIKey
JGJXIUCFDVHTST-UHFFFAOYSA-N
Synonyms
3,5-dibromo-4-nitropyridine 3,5-Dibromo-4-nitro-pyridine MFCD04113812 SCHEMBL12835616 DTXSID30360902

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.29
TPSA
56.03

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly 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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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