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CAS 1211590-18-9 4-BroMo-3-chloro-5-fluoropyridine molecular structure lightbox
CAS RN: 1211590-18-9

4-BroMo-3-chloro-5-fluoropyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-022882
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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 1211590-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1211590-18-9 / 4-bromo-3-chloro-5-fluoropyridine

4-BROMO-3-CHLORO-5-FLUOROPYRIDINE | MFCD16606307 | SCHEMBL21598602

Standard CAS: 1211590-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211590-18-9
Multi CAS
No
Molecular Formula
C5H2BrClFN
Molecular Weight
210.430000
Exact Mass
208.904320
SMILES
C1=C(C(=C(C=N1)Cl)Br)F
InChI
InChI=1S/C5H2BrClFN/c6-5-3(7)1-9-2-4(5)8/h1-2H
InChIKey
KORXILCJYZLTDE-UHFFFAOYSA-N
Synonyms
4-BROMO-3-CHLORO-5-FLUOROPYRIDINE MFCD16606307 SCHEMBL21598602 DTXSID601299559 4-bromo-3-chloro-5-fluoro-pyridine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.91
TPSA
12.89

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.13

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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