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CAS 1111637-68-3 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-fluoro- molecular structure lightbox
CAS RN: 1111637-68-3

1H-Pyrrolo[2,3-b]pyridine, 5-broMo-3-fluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012019
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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: 0.25g
  • 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 1111637-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1111637-68-3 / 5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine

5-Bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-fluoro- | 5-Bromo-3-fluoro-7-azaindole

Standard CAS: 1111637-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1111637-68-3
Multi CAS
No
Molecular Formula
C7H4BrFN2
Molecular Weight
215.020000
Exact Mass
213.954190
SMILES
C1=C(C=NC2=C1C(=CN2)F)Br
InChI
InChI=1S/C7H4BrFN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)
InChIKey
FEEYLWOKLCNDQR-UHFFFAOYSA-N
Synonyms
5-Bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-fluoro- 5-Bromo-3-fluoro-7-azaindole MFCD15529126 SCHEMBL1565867

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.75
TPSA
28.68

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.28

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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