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CAS 1150271-34-3 4-Bromo-3-formylpyridine hydrobromide salt molecular structure lightbox
CAS RN: 1150271-34-3

4-Bromo-3-formylpyridine hydrobromide salt

  • Product code: SSC-014738
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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 1150271-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1150271-34-3 / 4-bromopyridine-3-carbaldehyde;hydrobromide

4-Bromonicotinaldehyde hydrobromide | 4-bromopyridine-3-carbaldehyde hydrobromide | 4-Bromo-3-formylpyridine hydrobromide

Standard CAS: 1150271-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1150271-34-3
Multi CAS
No
Molecular Formula
C6H5Br2NO
Molecular Weight
266.920000
Exact Mass
266.871740
SMILES
C1=CN=CC(=C1Br)C=O.Br
InChI
InChI=1S/C6H4BrNO.BrH/c7-6-1-2-8-3-5(6)4-9;/h1-4H;1H
InChIKey
LRQCVMOGZSGCMW-UHFFFAOYSA-N
Synonyms
4-Bromonicotinaldehyde hydrobromide 4-bromopyridine-3-carbaldehyde hydrobromide 4-Bromo-3-formylpyridine hydrobromide MFCD09878537 4-bromopyridine-3-carbaldehyde;hydrobromide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.65
TPSA
29.96

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
2.23
Consensus LogP
2.14
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.76

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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