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CAS 117873-72-0 2,6-Dibromo-4-methoxypyridine molecular structure lightbox
CAS RN: 117873-72-0

2,6-Dibromo-4-methoxypyridine

  • Product code: SSC-017697
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >96%
  • Inventory rows with stock: 5
  • 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 117873-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 5 In Stock Shanghai Inquiry
5g >96% 5 In Stock Shenzhen Inquiry
10g >96% 5 In Stock Beijing Inquiry
25g >96% 5 In Stock Shenzhen Inquiry
100g >96% 1 In Stock Beijing Inquiry

117873-72-0 / 2,6-dibromo-4-methoxypyridine

2,6-DIBROMO-4-METHOXYPYRIDINE | MFCD11036227 | 2,6-dibromo-4-methoxy-pyridine

Standard CAS: 117873-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117873-72-0
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
COC1=CC(=NC(=C1)Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKey
FBLLPCQLOGKHAL-UHFFFAOYSA-N
Synonyms
2,6-DIBROMO-4-METHOXYPYRIDINE MFCD11036227 2,6-dibromo-4-methoxy-pyridine Pyridine, 2,6-dibromo-4-methoxy- SCHEMBL1424963

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.19
TPSA
22.12

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.49

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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