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CAS 1211541-09-1 3-Bromo-5-(2-thienyl)pyridine molecular structure lightbox
CAS RN: 1211541-09-1

3-Bromo-5-(2-thienyl)pyridine

  • Product code: SSC-022740
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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 1211541-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1211541-09-1 / 3-bromo-5-thiophen-2-ylpyridine

3-bromo-5-(2-thienyl)pyridine | 3-bromo-5-thiophen-2-ylpyridine | 3-bromo-5-(thiophen-2-yl)pyridine

Standard CAS: 1211541-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211541-09-1
Multi CAS
No
Molecular Formula
C9H6BrNS
Molecular Weight
240.120000
Exact Mass
238.940430
SMILES
C1=CSC(=C1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H6BrNS/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h1-6H
InChIKey
OOVQIONIXTXWSX-UHFFFAOYSA-N
Synonyms
3-bromo-5-(2-thienyl)pyridine 3-bromo-5-thiophen-2-ylpyridine 3-bromo-5-(thiophen-2-yl)pyridine SCHEMBL12608111 SCHEMBL30613331

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.25
TPSA
12.89

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

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

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