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CAS 1093879-46-9 2-(6-bromopyridin-2-yl)acetic acid molecular structure lightbox
CAS RN: 1093879-46-9

2-(6-bromopyridin-2-yl)acetic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250119 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-010671
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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 1093879-46-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1093879-46-9 / 2-(6-bromo-2-pyridinyl)acetic acid

2-(6-bromopyridin-2-yl)acetic acid | MFCD10000075 | (6-Bromopyridin-2-yl)acetic acid

Standard CAS: 1093879-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1093879-46-9
Multi CAS
No
Molecular Formula
C7H6BrNO2
Molecular Weight
216.030000
Exact Mass
214.958190
SMILES
C1=CC(=NC(=C1)Br)CC(=O)O
InChI
InChI=1S/C7H6BrNO2/c8-6-3-1-2-5(9-6)4-7(10)11/h1-3H,4H2,(H,10,11)
InChIKey
XZQWPHKCEJPCDK-UHFFFAOYSA-N
Synonyms
2-(6-bromopyridin-2-yl)acetic acid MFCD10000075 (6-Bromopyridin-2-yl)acetic acid 2-(6-bromo-2-pyridyl)acetic acid 6-BROMO-2-PYRIDINEACETIC ACID

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.28
TPSA
50.19

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.4
Consensus LogP
1.39
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.99

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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