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CAS 101681-34-9 4-(2-Bromophenyl)pyridine molecular structure lightbox
CAS RN: 101681-34-9

4-(2-Bromophenyl)pyridine

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250227 100mg In stock Inquiry
Batchno.20250914 1g In stock Inquiry
Batchno.20260427 250mg In stock Inquiry
  • Product code: SSC-002577
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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 101681-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

101681-34-9 / 4-(2-bromophenyl)pyridine

4-(2-bromophenyl)pyridine | RefChem:512291 | 834-347-1

Standard CAS: 101681-34-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101681-34-9
Multi CAS
No
Molecular Formula
C11H8BrN
Molecular Weight
234.090000
Exact Mass
232.984010
SMILES
C1=CC=C(C(=C1)C2=CC=NC=C2)Br
InChI
InChI=1S/C11H8BrN/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-8H
InChIKey
GZZVURXUOZUXDO-UHFFFAOYSA-N
Synonyms
4-(2-bromophenyl)pyridine RefChem:512291 834-347-1 MFCD18415515 SCHEMBL2331272

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.37
TPSA
12.89

LogP / Solubility

WLOGP
3.51
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.37
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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